lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): c1ccc2ncc(-c3ccncc3)cc2c1
InChIKey: QYCONSXONLLGHQ-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P09619
Assay: Inhibition of Platelet-derived growth factor receptor tyrosine kinase
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 206.25, ALogP 3.3, HBA 2, HBD 0, PSA 25.78, QED 0.61
Compound (SMILES): COc1ccc2ncc(-c3ccncc3)cc2c1
InChIKey: BGNDYXHAEMNSOM-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P09619
Assay: Inhibition of Platelet-derived growth factor receptor tyrosine kinase
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 236.27, ALogP 3.31, HBA 3, HBD 0, PSA 35.01, QED 0.68
Compound (SMILES): O=C(O)C[C@H](NC(=O)c1cccn2c(CCC3CCNCC3)nnc12)c1cccnc1
InChIKey: IYENZWRUEZBYIV-SFHVURJKSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of thrombin-induced human gel-filtered platelet aggregation
Measurement: IC50 = 0.37 nM (pChEMBL 9.430000305175781)
Descriptors: MW 422.49, ALogP 2, HBA 7, HBD 3, PSA 121.51, QED 0.51
Compound (SMILES): Oc1cc(O)c2cc(-c3ccncc3)cnc2c1
InChIKey: QYWQBBCHWNMFSG-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P09619
Assay: Inhibition of Platelet-derived growth factor receptor tyrosine kinase
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 238.25, ALogP 2.71, HBA 4, HBD 2, PSA 66.24, QED 0.68
Compound (SMILES): Oc1cc2cc(-c3ccncc3)cnc2cc1O
InChIKey: PWPSIWFFYVGDHO-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P09619
Assay: Inhibition of Platelet-derived growth factor receptor tyrosine kinase
Measurement: IC50 = 36000 nM (pChEMBL 4.440000057220459)
Descriptors: MW 238.25, ALogP 2.71, HBA 4, HBD 2, PSA 66.24, QED 0.64
Compound (SMILES): COc1ccc2c(C)c(-c3ccncc3)cnc2c1
InChIKey: NASNTWHNOVDBRW-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P09619
Assay: Inhibition of Platelet-derived growth factor receptor tyrosine kinase
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 250.3, ALogP 3.61, HBA 3, HBD 0, PSA 35.01, QED 0.7
Compound (SMILES): O=C(O)C[C@H](NC(=O)C1CCCn2c(CCC3CCNCC3)nnc21)c1cccnc1
InChIKey: SVESXPIJWQQCBW-ZVAWYAOSSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of thrombin-induced human gel-filtered platelet aggregation
Measurement: IC50 = 0.016 nM (pChEMBL 10.800000190734863)
Descriptors: MW 426.52, ALogP 1.81, HBA 7, HBD 3, PSA 122.03, QED 0.59
Compound (SMILES): O=C(N[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)C(=O)O)OCc1ccccc1
InChIKey: MUWWGBUXCFRNCO-RTWAWAEBSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of thrombin-induced human gel-filtered platelet aggregation
Measurement: IC50 = 0.027 nM (pChEMBL 10.569999694824219)
Descriptors: MW 488.59, ALogP 1.5, HBA 6, HBD 4, PSA 137.07, QED 0.39
Compound (SMILES): O=C(O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)c1cccnc1
InChIKey: ABNXKGFLZFSILK-MOPGFXCFSA-N
Target: Integrin alpha-V/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of human vitronectin binding to immobilized Alpha v beta-3
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 416.52, ALogP 1.73, HBA 5, HBD 3, PSA 111.63, QED 0.6
Compound (SMILES): CC(C)COC(=O)N[C@@H](CNC(=O)C1CCCn2c(/C=C/C3CCNCC3)nnc21)C(=O)O
InChIKey: AFJXMMWPBLETCO-OLTNBQRZSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of thrombin-induced human gel-filtered platelet aggregation
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 462.55, ALogP 1.12, HBA 8, HBD 4, PSA 147.47, QED 0.43
Compound (SMILES): COc1cc2cc(-c3ccncc3)cnc2cc1OC
InChIKey: GDUOSVIOUNAARR-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P09619
Assay: Inhibition of Platelet-derived growth factor receptor tyrosine kinase
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 266.3, ALogP 3.31, HBA 4, HBD 0, PSA 44.24, QED 0.73
Compound (SMILES): COc1ccc2ncc(-c3ccncc3)c(C)c2c1
InChIKey: TVSJBGWRKQNXBN-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P09619
Assay: Inhibition of Platelet-derived growth factor receptor tyrosine kinase
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 250.3, ALogP 3.61, HBA 3, HBD 0, PSA 35.01, QED 0.7
Compound (SMILES): Clc1ccc2cc(-c3ccncc3)cnc2c1
InChIKey: WMECTFBVYBAOOF-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P09619
Assay: Inhibition of Platelet-derived growth factor receptor tyrosine kinase
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 240.69, ALogP 3.95, HBA 2, HBD 0, PSA 25.78, QED 0.64
Compound (SMILES): COc1cc2ncc(-c3ccncc3)cc2c(OC)c1OC
InChIKey: FQVDOOFEQQAHPX-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P09619
Assay: Inhibition of Platelet-derived growth factor receptor tyrosine kinase
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 296.33, ALogP 3.32, HBA 5, HBD 0, PSA 53.47, QED 0.74
Compound (SMILES): O=C(Cc1cccnc1)N[C@@H](CNC(=O)C1CCCn2c(/C=C/C3CCNCC3)nnc21)C(=O)O
InChIKey: XTHVPXDEZXVGPQ-BGCYOVRJSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of thrombin-induced human gel-filtered platelet aggregation
Measurement: IC50 = 0.12 nM (pChEMBL 9.920000076293945)
Descriptors: MW 481.56, ALogP 0.49, HBA 8, HBD 4, PSA 151.13, QED 0.4
Compound (SMILES): O=C(O)C[C@H](NC(=O)C1CCCn2c(/C=C/C3CCNCC3)nnc21)c1cnc2ccccc2c1
InChIKey: MCDJJGKLMCJYFS-HLPNFUELSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of thrombin-induced human gel-filtered platelet aggregation
Measurement: IC50 = 0.057 nM (pChEMBL 10.239999771118164)
Descriptors: MW 474.57, ALogP 3.05, HBA 7, HBD 3, PSA 122.03, QED 0.48
Compound (SMILES): O=C(NC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)O)C1CCCn2c(/C=C/C3CCNCC3)nnc21
InChIKey: XIUUVOUXDREGQI-JLYSBYLFSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of thrombin-induced human gel-filtered platelet aggregation
Measurement: IC50 = 0.043 nM (pChEMBL 10.369999885559082)
Descriptors: MW 516.62, ALogP 0.86, HBA 8, HBD 4, PSA 155.31, QED 0.36
Compound (SMILES): O=C(N[C@@H](CNC(=O)C1CCCn2c(CCC3CCNCC3)nnc21)C(=O)O)OCc1ccccc1
InChIKey: NJHGFLNQVAIERE-ANYOKISRSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of thrombin-induced human gel-filtered platelet aggregation
Measurement: IC50 = 0.068 nM (pChEMBL 10.170000076293945)
Descriptors: MW 498.58, ALogP 1.58, HBA 8, HBD 4, PSA 147.47, QED 0.39
Compound (SMILES): O=C1CCc2c(ccc3ccccc23)O1
InChIKey: ISFPDBUKMJDAJH-UHFFFAOYSA-N
Target: Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (PROTEIN COMPLEX), Homo sapiens
UniProt: O15379
Assay: Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay
Measurement: IC50 > 75000 nM (pChEMBL 4.125)
Descriptors: MW 198.22, ALogP 2.69, HBA 2, HBD 0, PSA 26.3, QED 0.48
Compound (SMILES): NC(=O)CNC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1
InChIKey: XEOVKXSFYIXXCT-HHHXNRCGSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of [3H]FPP incorporation into His6-H-Ras-CVLS by farnesyl transferase
Measurement: IC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 695.88, ALogP 5.03, HBA 4, HBD 2, PSA 108.63, QED 0.46
Compound (SMILES): O=C(O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)c1cccnc1
InChIKey: ABNXKGFLZFSILK-MOPGFXCFSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of human Biotinylated Fg binding to immobilized Alpha II beta-3
Measurement: IC50 = 0.15 nM (pChEMBL 9.819999694824219)
Descriptors: MW 416.52, ALogP 1.73, HBA 5, HBD 3, PSA 111.63, QED 0.6
Compound (SMILES): O=C1CCc2c(ccc3ccccc23)O1
InChIKey: ISFPDBUKMJDAJH-UHFFFAOYSA-N
Target: Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (PROTEIN COMPLEX), Homo sapiens
UniProt: O15379
Assay: Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay
Measurement: Ki > 75000 nM (pChEMBL 4.125)
Descriptors: MW 198.22, ALogP 2.69, HBA 2, HBD 0, PSA 26.3, QED 0.48
Compound (SMILES): O=C(O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)c1cccnc1
InChIKey: ABNXKGFLZFSILK-MOPGFXCFSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Inhibition of thrombin-induced human gel-filtered platelet aggregation
Measurement: IC50 = 0.06 nM (pChEMBL 10.220000267028809)
Descriptors: MW 416.52, ALogP 1.73, HBA 5, HBD 3, PSA 111.63, QED 0.6
Compound (SMILES): c1cc2cc(c1)-c1cccc(c1)C[n+]1ccc(c3ccccc31)NCCCCCCCCCCNc1cc[n+](c3ccccc13)C2
InChIKey: QFSGJJCWIIUQCT-UUHCYPSGSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 606.86, ALogP 9.29, HBA 2, HBD 2, PSA 31.82, QED 0.17
Compound (SMILES): O=C1O/C(=C/Br)CCC1c1cccc2ccccc12
InChIKey: BYUCSFWXCMTYOI-ZRDIBKRKSA-N
Target: Short transient receptor potential channel 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y210
Assay: Antagonist activity at TRPC6 (unknown origin) assessed as inhibition of channel activity
Measurement: IC50 = 7200 nM (pChEMBL 5.139999866485596)
Descriptors: MW 317.18, ALogP 4.5, HBA 2, HBD 0, PSA 26.3, QED 0.72
Compound (SMILES): O=C1O/C(=C/I)CCC1c1cccc2ccccc12
InChIKey: ZJGPRRLHNMNINO-ZRDIBKRKSA-N
Target: 85/88 kDa calcium-independent phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60733
Assay: Compounds were evaluated for the inhibitory activity against canine myocardial cytosolic calcium dependent phospholipase A2. 
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 364.18, ALogP 4.54, HBA 2, HBD 0, PSA 26.3, QED 0.55
Compound (SMILES): C#C/C=C1\CCC(c2cccc3ccccc23)C(=O)O1
InChIKey: NHOIHEBFAKOZIE-MKMNVTDBSA-N
Target: 85/88 kDa calcium-independent phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60733
Assay: Compounds were evaluated for the inhibitory activity against canine myocardial cytosolic calcium dependent phospholipase A2. 
Measurement: IC50 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 262.31, ALogP 3.78, HBA 2, HBD 0, PSA 26.3, QED 0.58
Compound (SMILES): O=C1O/C(=C\I)CCC1c1cccc2ccccc12
InChIKey: ZJGPRRLHNMNINO-BENRWUELSA-N
Target: 85/88 kDa calcium-independent phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60733
Assay: Compounds were evaluated for the inhibitory activity against canine myocardial cytosolic calcium dependent phospholipase A2. 
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 364.18, ALogP 4.54, HBA 2, HBD 0, PSA 26.3, QED 0.55
Compound (SMILES): c1ccc2c(c1)c1cc[n+]2Cc2ccc(cc2)-c2ccc(cc2)C[n+]2ccc(c3ccccc32)NCCCCCCCCCCN1
InChIKey: NVFMGTWRSCHMNV-UUHCYPSGSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 606.86, ALogP 9.29, HBA 2, HBD 2, PSA 31.82, QED 0.17
Compound (SMILES): Nc1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N)c5ccccc54)c3)c2)c2ccccc12
InChIKey: CKEYKKQODPYQPS-UHFFFAOYSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 468.6, ALogP 5.5, HBA 2, HBD 2, PSA 59.8, QED 0.33
Compound (SMILES): Nc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N)c5ccccc54)cc3)cc2)c2ccccc12
InChIKey: SSYLZSFCNUGCEN-UHFFFAOYSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 496.66, ALogP 5.61, HBA 2, HBD 2, PSA 59.8, QED 0.28
Compound (SMILES): Nc1cc[n+](Cc2ccc(/C=C\c3ccc(C[n+]4ccc(N)c5ccccc54)cc3)cc2)c2ccccc12
InChIKey: VERLYKWASWBHLC-KTKRTIGZSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 494.64, ALogP 6, HBA 2, HBD 2, PSA 59.8, QED 0.22
Compound (SMILES): c1ccc(C[n+]2ccc(NCCCCCCCCCCNc3cc[n+](Cc4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIKey: JFTHHZLVWUKENE-UHFFFAOYSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 608.87, ALogP 9.31, HBA 2, HBD 2, PSA 31.82, QED 0.08
Compound (SMILES): C1=C\c2ccc(cc2)C[n+]2ccc(c3ccccc32)NCCCCCCCCCCNc2cc[n+](c3ccccc23)Cc2ccc/1cc2
InChIKey: XEMPJHUQLPZELF-MBGWAGLFSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 632.9, ALogP 9.79, HBA 2, HBD 2, PSA 31.82, QED 0.16
Compound (SMILES): c1ccc2c(c1)c1cc[n+]2Cc2ccc(cc2)CCc2ccc(cc2)C[n+]2ccc(c3ccccc32)NCCCCCCCCCCN1
InChIKey: PWKOKPCVDQPYGH-UWXPRHHASA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 634.91, ALogP 9.41, HBA 2, HBD 2, PSA 31.82, QED 0.16
Compound (SMILES): c1ccc2c(c1)c1cc[n+]2Cc2ccc(cc2)Cc2ccc(cc2)C[n+]2ccc(c3ccccc32)NCCCCCCCCCCN1
InChIKey: SXDHPHPRCINSFL-QEXFJYHKSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 620.88, ALogP 9.21, HBA 2, HBD 2, PSA 31.82, QED 0.17
Compound (SMILES): Nc1cc[n+](Cc2ccc3c(c2)Cc2cc(C[n+]4ccc(N)c5ccccc54)ccc2-3)c2ccccc12
InChIKey: USOMLPZSQWAHIS-UHFFFAOYSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 480.62, ALogP 5.4, HBA 2, HBD 2, PSA 59.8, QED 0.33
Compound (SMILES): Nc1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N)c5ccccc54)cc3)cc2)c2ccccc12
InChIKey: BJOSVLNMVXPCHZ-UHFFFAOYSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 468.6, ALogP 5.5, HBA 2, HBD 2, PSA 59.8, QED 0.33
Compound (SMILES): c1ccc2c(c1)c1cc[n+]2Cc2ccc3c(c2)Cc2cc(ccc2-3)C[n+]2ccc(c3ccccc32)NCCCCCCCCCCN1
InChIKey: XTPOJZQDRYWGAK-QEXFJYHKSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 618.87, ALogP 9.19, HBA 2, HBD 2, PSA 31.82, QED 0.17
Compound (SMILES): Nc1cc[n+](Cc2ccc(Cc3ccc(C[n+]4ccc(N)c5ccccc54)cc3)cc2)c2ccccc12
InChIKey: YEQQDIAUPMSMFF-UHFFFAOYSA-P
Target: Small conductance calcium-activated potassium channel protein 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P70604
Assay: Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
Measurement: IC50 = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 482.63, ALogP 5.42, HBA 2, HBD 2, PSA 59.8, QED 0.31
Compound (SMILES): c1cncc(CN2CCN(CC3CCCCN3)CC2)c1
InChIKey: DRPRVZRXXKNQLM-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 274.41, ALogP 1.34, HBA 4, HBD 1, PSA 31.4, QED 0.9
Compound (SMILES): c1cc(CN2CCN(CC3CCCCN3)CC2)ccn1
InChIKey: MOELVVIGJQKOLV-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 274.41, ALogP 1.34, HBA 4, HBD 1, PSA 31.4, QED 0.9
Compound (SMILES): CN1CCCCC1CN1CCN(Cc2ccncc2)CC1
InChIKey: PZJPTHPHWYPBQZ-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 288.44, ALogP 1.68, HBA 4, HBD 0, PSA 22.61, QED 0.84
Compound (SMILES): CN1CCCCC1CN1CCN(Cc2cccnc2)CC1
InChIKey: HCDQDLCIQSKJEO-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 288.44, ALogP 1.68, HBA 4, HBD 0, PSA 22.61, QED 0.84
Compound (SMILES): CN1CCC[C@H]1CN1CCN(Cc2ccncc2)CC1
InChIKey: ISORIJBJWAUNMX-INIZCTEOSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 274.41, ALogP 1.29, HBA 4, HBD 0, PSA 22.61, QED 0.83
Compound (SMILES): CN1CCC[C@H]1CN1CCN(Cc2cccnc2)CC1
InChIKey: ULRNQAZROUDCII-INIZCTEOSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 274.41, ALogP 1.29, HBA 4, HBD 0, PSA 22.61, QED 0.83
Compound (SMILES): COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC
InChIKey: IENZQIKPVFGBNW-UHFFFAOYSA-N
Target: Alpha-1A adrenergic receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P43140
Assay: Compound was tested for its binding affinity towards Alpha-1A adrenergic receptor using [3H]prazosin from rat submaxillary gland
Measurement: Ki = 1.05 nM (pChEMBL 8.979999542236328)
Descriptors: MW 383.41, ALogP 1.78, HBA 8, HBD 1, PSA 106.95, QED 0.73
Compound (SMILES): C=C(C=O)C[C@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)C/C=C\[C@H]4O[C@H]3C[C@H]2O1
InChIKey: LYTCVQQGCSNFJU-LKGYBJPKSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki = 5.7 nM (pChEMBL 8.239999771118164)
Descriptors: MW 895.1, ALogP 5.47, HBA 14, HBD 1, PSA 155.9, QED 0.16
Compound (SMILES): CN1CCC[C@H]1c1cccnc1
InChIKey: SNICXCGAKADSCV-JTQLQIEISA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)
Measurement: Ki = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 162.24, ALogP 1.85, HBA 2, HBD 0, PSA 16.13, QED 0.63
Compound (SMILES): c1cncc([C@@H]2CCCN2)c1
InChIKey: MYKUKUCHPMASKF-VIFPVBQESA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Affinity for alpha-7 neuronal nicotinic acetylcholine receptor subtype determined by inhibition of [3H]-MLA binding to rat brain membranes
Measurement: Ki = 1340 nM (pChEMBL 5.869999885559082)
Descriptors: MW 148.21, ALogP 1.51, HBA 2, HBD 1, PSA 24.92, QED 0.65
Compound (SMILES): CCC(C)(C)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: LKBCROIQZFFNCS-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 617.7, ALogP 3.62, HBA 10, HBD 1, PSA 134.33, QED 0.38
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)CC(C)C)C2)cc(OC)c1OC
InChIKey: VJAMGEUEUBUVCW-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 631.72, ALogP 3.87, HBA 10, HBD 1, PSA 134.33, QED 0.35
Compound (SMILES): CCCC(C)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: SGVUFQYRNRMBDS-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 617.7, ALogP 3.62, HBA 10, HBD 1, PSA 134.33, QED 0.36
Compound (SMILES): O=C(C1CCCCN1)N1CCN(Cc2cccnc2)CC1
InChIKey: SHVTUGFWWFPRNZ-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 288.4, ALogP 0.87, HBA 4, HBD 1, PSA 48.47, QED 0.9
Compound (SMILES): c1cncc(CN2CCN(C[C@@H]3CCCN3)CC2)c1
InChIKey: QBFPSJCRZCHYJC-HNNXBMFYSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 260.38, ALogP 0.95, HBA 4, HBD 1, PSA 31.4, QED 0.87
Compound (SMILES): c1cc(CN2CCN(C[C@@H]3CCCN3)CC2)ccn1
InChIKey: VPZLPAKJZIZIHZ-HNNXBMFYSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 260.39, ALogP 0.95, HBA 4, HBD 1, PSA 31.4, QED 0.87
Compound (SMILES): O=c1oc2c(O)c(O)ccc2c2cc(O)c(O)cc12
InChIKey: NEZDQSKPNPRYAW-UHFFFAOYSA-N
Target: Polypeptide N-acetylgalactosaminyltransferase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q10471
Assay: Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 260.2, ALogP 1.77, HBA 6, HBD 4, PSA 111.13, QED 0.28
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NCC(C)(C)C)C2)cc(OC)c1OC
InChIKey: ZJUIACXULIBYQJ-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 617.7, ALogP 3.48, HBA 10, HBD 1, PSA 134.33, QED 0.4
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)(C)C)C2)cc(OC)c1OC
InChIKey: SOMBNBNRGKHTPF-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 603.67, ALogP 3.23, HBA 10, HBD 1, PSA 134.33, QED 0.43
Compound (SMILES): CCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: HRAVCYOABUOCGK-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 630.73, ALogP 4.61, HBA 10, HBD 0, PSA 122.3, QED 0.19
Compound (SMILES): CCCCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: OYHTTZDJDLVHDP-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 2820 nM (pChEMBL 5.550000190734863)
Descriptors: MW 658.79, ALogP 5.39, HBA 10, HBD 0, PSA 122.3, QED 0.15
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(C)=O)C2)cc(OC)c1OC
InChIKey: KRGMLTJKLQEHOZ-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 546.57, ALogP 2.27, HBA 10, HBD 0, PSA 122.3, QED 0.41
Compound (SMILES): CCCCCCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: BSDZFTJWNPWDIZ-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 659.78, ALogP 4.79, HBA 10, HBD 1, PSA 134.33, QED 0.24
Compound (SMILES): CCCCCCCCCCCCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: RIPBNIBRYTXDLA-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 45000 nM (pChEMBL 4.349999904632568)
Descriptors: MW 771, ALogP 8.51, HBA 10, HBD 0, PSA 122.3, QED 0.07
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)COc3ccc(Cl)cc3)C2)cc(OC)c1OC
InChIKey: XESVLIGJOTXWMD-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 673.12, ALogP 3.98, HBA 11, HBD 0, PSA 131.53, QED 0.24
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)COc3ccc(F)cc3)C2)cc(OC)c1OC
InChIKey: XHWFWJNBJZSGFU-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 10300 nM (pChEMBL 4.989999771118164)
Descriptors: MW 656.66, ALogP 3.47, HBA 11, HBD 0, PSA 131.53, QED 0.25
Compound (SMILES): CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChIKey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N
Target: D(1A) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P21728
Assay: Binding affinity towards human DRD1 in an in vitro assay with cellular components (NIBR assay) measured by scintillation counting
Measurement: AC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 361.37, ALogP 1.54, HBA 6, HBD 1, PSA 75.01, QED 0.87
Compound (SMILES): CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
InChIKey: MHWLWQUZZRMNGJ-UHFFFAOYSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 125.9 nM (pChEMBL 6.900000095367432)
Descriptors: MW 232.24, ALogP 1.42, HBA 4, HBD 1, PSA 72.19, QED 0.85
Compound (SMILES): O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
InChIKey: AFSDNFLWKVMVRB-UHFFFAOYSA-N
Target: Dual specificity protein phosphatase 6 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q64346
Assay: PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Related pubchem assays: 1055, 566, 1052, 553, 1054 ]
Measurement: IC50 = 39500 nM (pChEMBL 4.400000095367432)
Descriptors: MW 302.19, ALogP 1.31, HBA 8, HBD 4, PSA 141.34, QED 0.22
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C3CCCCC3)C2)cc(OC)c1OC
InChIKey: BLDZWCUVWBMDLL-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 614.69, ALogP 3.83, HBA 10, HBD 0, PSA 122.3, QED 0.35
Compound (SMILES): CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: ZBRLGJYJSHQDOY-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 602.68, ALogP 3.68, HBA 10, HBD 0, PSA 122.3, QED 0.31
Compound (SMILES): CC(=O)/C=C/CC1C(=O)N2[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@@H]12
InChIKey: MVFOBYCNFIYDLC-OKGGOOFDSA-N
Target: Beta-lactamase TEM (SINGLE PROTEIN), Escherichia coli
UniProt: P62593
Assay: In vitro inhibitory concentration against TEM-1 enzyme
Measurement: IC50 = 6500 nM (pChEMBL 5.190000057220459)
Descriptors: MW 315.35, ALogP -0.03, HBA 5, HBD 1, PSA 108.82, QED 0.58
Compound (SMILES): CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2
InChIKey: WDPFJWLDPVQCAJ-UHFFFAOYSA-N
Target: Platelet-activating factor acetylhydrolase (SINGLE PROTEIN), Homo sapiens
UniProt: Q13093
Assay: Inhibitory activity against recombinant human Lp-PLA2
Measurement: IC50 = 0.25 nM (pChEMBL 9.600000381469727)
Descriptors: MW 666.79, ALogP 7.22, HBA 6, HBD 0, PSA 58.44, QED 0.09
Compound (SMILES): CC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC)C(=O)C(=O)N[C@@H](CCCCN)C(=O)O
InChIKey: PFHINVNYVSTJQP-VAZFOVGVSA-N
Target: Genome polyprotein (SINGLE PROTEIN), Hepatitis C virus genotype 1a (isolate 1) (HCV)
UniProt: P26664
Assay: Inhibitory concentration against HCV NS3 protease was determined
Measurement: IC50 = 7700 nM (pChEMBL 5.110000133514404)
Descriptors: MW 744.93, ALogP 1.77, HBA 10, HBD 7, PSA 251.67, QED 0.06
Compound (SMILES): CCCCCN(CCCCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: AKUMVPRSWUGFHR-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 11400 nM (pChEMBL 4.940000057220459)
Descriptors: MW 687.83, ALogP 5.52, HBA 10, HBD 0, PSA 125.54, QED 0.18
Compound (SMILES): CCCCN(CCCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: KOMAGQAIKGCREJ-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 1250 nM (pChEMBL 5.900000095367432)
Descriptors: MW 659.78, ALogP 4.74, HBA 10, HBD 0, PSA 125.54, QED 0.25
Compound (SMILES): CCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: IWRWPHXCANDKPP-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 420 nM (pChEMBL 6.380000114440918)
Descriptors: MW 574.63, ALogP 3.05, HBA 10, HBD 0, PSA 122.3, QED 0.35
Compound (SMILES): CCCN(CCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: HZWQZAAOTLGOMR-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 631.72, ALogP 3.96, HBA 10, HBD 0, PSA 125.54, QED 0.3
Compound (SMILES): CCN(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: QKSXEJNMSRTCRE-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 25800 nM (pChEMBL 4.590000152587891)
Descriptors: MW 603.67, ALogP 3.18, HBA 10, HBD 0, PSA 125.54, QED 0.36
Compound (SMILES): COc1cc(NC(=O)OCC2CN(C(=O)c3cc(OC)c(OC)c(OC)c3)CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIKey: WKNNLSGOPCKNBX-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 13800 nM (pChEMBL 4.860000133514404)
Descriptors: MW 713.74, ALogP 3.98, HBA 13, HBD 1, PSA 162.02, QED 0.26
Compound (SMILES): CCC(CC)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: SBHBWISDHLCEJR-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 617.7, ALogP 3.62, HBA 10, HBD 1, PSA 134.33, QED 0.36
Compound (SMILES): CCC(C)CNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: OQXNKIVBKDLXLO-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 617.7, ALogP 3.48, HBA 10, HBD 1, PSA 134.33, QED 0.36
Compound (SMILES): CCCCC(CC)CNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: RRRURLRTEPJQRT-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 3900 nM (pChEMBL 5.409999847412109)
Descriptors: MW 659.78, ALogP 4.65, HBA 10, HBD 1, PSA 134.33, QED 0.27
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NCCC(C)C)C2)cc(OC)c1OC
InChIKey: DFMYYPWUKJDYRZ-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 617.7, ALogP 3.48, HBA 10, HBD 1, PSA 134.33, QED 0.36
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)C(C)C)C2)cc(OC)c1OC
InChIKey: YMQNGBBYGZIAGG-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 617.7, ALogP 3.48, HBA 10, HBD 1, PSA 134.33, QED 0.38
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC
InChIKey: YYOKEEFYTIKJOO-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 880 nM (pChEMBL 6.059999942779541)
Descriptors: MW 643.09, ALogP 4.22, HBA 10, HBD 0, PSA 122.3, QED 0.28
Compound (SMILES): CCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: URTKPOVVQZNBPW-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 602.68, ALogP 3.83, HBA 10, HBD 0, PSA 122.3, QED 0.23
Compound (SMILES): Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCN)c2)cc1
InChIKey: YNCAROCYIGDSNF-UMSFTDKQSA-N
Target: Glycylpeptide N-tetradecanoyltransferase (SINGLE PROTEIN), Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)
UniProt: P30418
Assay: Compound was tested for the inhibition potency against Candida albicans N-myristoyltransferase (NMT) using peptide substrate GNAASARR-NH2 at its apparent Km and myristoylCoA at 1 uM
Measurement: IC50 = 29300 nM (pChEMBL 4.53000020980835)
Descriptors: MW 588.84, ALogP 5.72, HBA 6, HBD 3, PSA 102.4, QED 0.17
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC
InChIKey: BXIGZIXGNMVVFJ-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 588.65, ALogP 3.29, HBA 10, HBD 0, PSA 122.3, QED 0.38
Compound (SMILES): COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35354
Assay: Inhibition of PGE-2 generation in LPS-stimulated human monocytes (Prostaglandin G/H synthase 2 cell assay)
Measurement: IC50 = 5.9 nM (pChEMBL 8.229999542236328)
Descriptors: MW 357.79, ALogP 3.93, HBA 4, HBD 1, PSA 68.53, QED 0.77
Compound (SMILES): O=C(C1CCCCN1)N1CCN(Cc2ccncc2)CC1
InChIKey: GUHWAALAWWMKDC-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 288.4, ALogP 0.87, HBA 4, HBD 1, PSA 48.47, QED 0.9
Compound (SMILES): O=C(C1CCCCN1)N1CCN(Cc2ccccn2)CC1
InChIKey: OGWMZJGJKKFPMX-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 288.39, ALogP 0.87, HBA 4, HBD 1, PSA 48.47, QED 0.9
Compound (SMILES): O=C([C@@H]1CCCN1)N1CCN(Cc2ccccn2)CC1
InChIKey: FBAPMAZOFDLVQE-AWEZNQCLSA-N
Target: Neuronal acetylcholine receptor subunit alpha-7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05941
Assay: Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 274.37, ALogP 0.48, HBA 4, HBD 1, PSA 48.47, QED 0.87
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)CC(C)(C)C)C2)cc(OC)c1OC
InChIKey: ZVGSBMSQLRSOHN-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 602.68, ALogP 3.68, HBA 10, HBD 0, PSA 122.3, QED 0.35
Compound (SMILES): CCC(CC)C(=O)OCC1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1Cc1cc(OC)c(OC)c(OC)c1
InChIKey: YBFGTQXXZOBAGN-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 574.72, ALogP 4.4, HBA 10, HBD 0, PSA 88.16, QED 0.29
Compound (SMILES): COc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC
InChIKey: VCGBVLOXSFYYES-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 12500 nM (pChEMBL 4.900000095367432)
Descriptors: MW 418.49, ALogP 3.06, HBA 8, HBD 0, PSA 61.86, QED 0.65
Compound (SMILES): COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC
InChIKey: RSMOCRIXTHPCBX-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 1780 nM (pChEMBL 5.75)
Descriptors: MW 474.51, ALogP 2.34, HBA 8, HBD 0, PSA 96, QED 0.58
Compound (SMILES): Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCCN)c2)cc1
InChIKey: POMULZQWVZXZEN-DHUJRADRSA-N
Target: Glycylpeptide N-tetradecanoyltransferase (SINGLE PROTEIN), Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)
UniProt: P30418
Assay: compound was tested for the inhibition potency against Candida albicans N-myristoyltransferase (NMT) using peptide substrate GNAASARR-NH2 at its apparent Km and myristoylCoA at 1 uM
Measurement: IC50 = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 602.86, ALogP 6.11, HBA 6, HBD 3, PSA 102.4, QED 0.14
Compound (SMILES): Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCN)c2)cc1
InChIKey: YNCAROCYIGDSNF-UUWRZZSWSA-N
Target: Glycylpeptide N-tetradecanoyltransferase (SINGLE PROTEIN), Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)
UniProt: P30418
Assay: compound was tested for the inhibition potency against Candida albicans N-myristoyltransferase (NMT) using peptide substrate GNAASARR-NH2 at its apparent Km and myristoylCoA at 1 uM
Measurement: IC50 = 17500 nM (pChEMBL 4.760000228881836)
Descriptors: MW 588.84, ALogP 5.72, HBA 6, HBD 3, PSA 102.4, QED 0.17
Compound (SMILES): CCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: KFLCKESTWZJUOI-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P21556
Assay: Inhibition of PAF-induced rabbit platelet aggregation
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 603.67, ALogP 3.23, HBA 10, HBD 1, PSA 134.33, QED 0.34
Compound (SMILES): N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIKey: WMZTYIRRBCGARG-VIFPVBQESA-N
Target: Amino acid transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9Z1J7
Assay: Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting
Measurement: IC50 = 70200 nM (pChEMBL 4.150000095367432)
Descriptors: MW 267.24, ALogP 0.73, HBA 5, HBD 3, PSA 135.56, QED 0.51
Compound (SMILES): CON(C)C(=O)/C=C/CC1C(=O)N2[C@@H]1[S+]([O-])C(C)(C)[C@@H]2C(=O)O
InChIKey: NODZXNWCPAUXPG-IDLZWDITSA-N
Target: Beta-lactamase TEM (SINGLE PROTEIN), Escherichia coli
UniProt: P62593
Assay: In vitro inhibitory concentration against TEM-1 enzyme
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 344.39, ALogP -0.27, HBA 5, HBD 1, PSA 110.21, QED 0.32
Compound (SMILES): CC1(C)[C@H](C(=O)O)N2C(=O)C(C/C=C/C=O)[C@H]2S1(=O)=O
InChIKey: APLLQHCDOOGSFW-OQAFJANISA-N
Target: Beta-lactamase TEM (SINGLE PROTEIN), Escherichia coli
UniProt: P62593
Assay: In vitro inhibitory concentration against TEM-1 enzyme
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 301.32, ALogP -0.42, HBA 5, HBD 1, PSA 108.82, QED 0.43
Compound (SMILES): CC(=O)/C=C/CC1C(=O)N2[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@H]12
InChIKey: MVFOBYCNFIYDLC-RWZNOURBSA-N
Target: Beta-lactamase TEM (SINGLE PROTEIN), Escherichia coli
UniProt: P62593
Assay: In vitro inhibitory concentration against TEM-1 enzyme
Measurement: IC50 = 8400 nM (pChEMBL 5.079999923706055)
Descriptors: MW 315.35, ALogP -0.03, HBA 5, HBD 1, PSA 108.82, QED 0.58
Compound (SMILES): COC(=O)/C=C/CC1C(=O)N2[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@H]12
InChIKey: WHIIGHHQWOXKEP-ASQRRCTNSA-N
Target: Beta-lactamase TEM (SINGLE PROTEIN), Escherichia coli
UniProt: P62593
Assay: In vitro inhibitory concentration against TEM-1 enzyme
Measurement: IC50 = 8600 nM (pChEMBL 5.070000171661377)
Descriptors: MW 331.35, ALogP -0.45, HBA 6, HBD 1, PSA 118.05, QED 0.42
Compound (SMILES): CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1
InChIKey: NOCJXYPHIIZEHN-UHFFFAOYSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 399.4, ALogP 2.72, HBA 5, HBD 1, PSA 65.78, QED 0.73
Compound (SMILES): C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
InChIKey: LPQZKKCYTLCDGQ-WEDXCCLWSA-N
Target: Beta-lactamase TEM (SINGLE PROTEIN), Escherichia coli
UniProt: P62593
Assay: In vitro inhibitory activity against Class A (TEM-1) beta-Lactamases
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 300.3, ALogP -1.52, HBA 7, HBD 1, PSA 122.46, QED 0.67
Compound (SMILES): CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](Cc3cn(CC4CCCN4)nn3)[C@H]2S1(=O)=O
InChIKey: ANCXGKPUGCZNAI-OOPHUOBASA-N
Target: Beta-lactamase TEM (SINGLE PROTEIN), Escherichia coli
UniProt: P62593
Assay: In vitro inhibitory concentration against TEM-1 enzyme
Measurement: IC50 = 7900 nM (pChEMBL 5.099999904632568)
Descriptors: MW 397.46, ALogP -0.98, HBA 8, HBD 2, PSA 134.49, QED 0.61
Compound (SMILES): CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](Cc3cn(-c4ccc(O)cc4)nn3)[C@H]2S1(=O)=O
InChIKey: KPAZRDMJBFRIBA-VNHYZAJKSA-N
Target: Beta-lactamase TEM (SINGLE PROTEIN), Escherichia coli
UniProt: P62593
Assay: In vitro inhibitory concentration against TEM-1 enzyme
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 406.42, ALogP -0.04, HBA 8, HBD 2, PSA 142.69, QED 0.67
Compound (SMILES): Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIKey: DSXXEELGXBCYNQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Binding affinity to non phosphorylated PIM1
Measurement: Kd = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 457.56, ALogP 3.72, HBA 6, HBD 3, PSA 105.9, QED 0.18