lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]
InChIKey: DGOLMTSTXLHVKN-UHFFFAOYSA-N
Target: Sodium-dependent dopamine transporter (SINGLE PROTEIN), Homo sapiens
UniProt: Q01959
Assay: In vitro inhibition of [3H]WIN-35428 binding to human dopamine transporter expressed in canine kidney cells
Measurement: Ki = 969 nM (pChEMBL 6.010000228881836)
Descriptors: MW 288.33, ALogP 3.11, HBA 4, HBD 1, PSA 72.24, QED 0.69
Compound (SMILES): COc1ccc(-c2cc3[nH]c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)c3[nH]2)cc1
InChIKey: BUYWLMDHKBMZQX-UHFFFAOYSA-N
Target: D(1A) dopamine receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P18901
Assay: Inhibition of [3H]SCH-23390 binding to Dopamine receptor D1 from rat striatum
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 479.97, ALogP 3.17, HBA 6, HBD 2, PSA 86.36, QED 0.44
Compound (SMILES): Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1
InChIKey: JXHMDZXULHHUPQ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1B (SINGLE PROTEIN), Homo sapiens
UniProt: P28222
Assay: Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 400.53, ALogP 4.22, HBA 4, HBD 1, PSA 44.39, QED 0.53
Compound (SMILES): C[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIKey: HXGMCPSJILOUIU-IHMJZKOGSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of baculovirus expressed human VEGFR2
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 423.47, ALogP 4.5, HBA 5, HBD 2, PSA 68.42, QED 0.39
Compound (SMILES): C[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIKey: HXGMCPSJILOUIU-LROUJFHJSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of baculovirus expressed human VEGFR2
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 423.47, ALogP 4.5, HBA 5, HBD 2, PSA 68.42, QED 0.39
Compound (SMILES): C[C@]12O[C@H](C[C@@]1(O)C(N)=O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O
InChIKey: BIJVEGOYPDBWSR-CXAHNHKCSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of baculovirus expressed human VEGFR2
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 452.47, ALogP 2.97, HBA 6, HBD 3, PSA 111.51, QED 0.36
Compound (SMILES): C[C@H]1c2c(c3c(n2Cc2ccccc2)[C@@H]2Oc4c(O)ccc5c4[C@@]24CCN(C)[C@H](C5)[C@]4(O)C3)CC2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]12CCN3C
InChIKey: UYHRAQBDMFVGNM-FJWUJMSZSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P33533
Assay: Inhibition of [3H]diprenorphine binding to rat Opioid receptor delta 1 expressed in C6 cells
Measurement: Ki = 207 nM (pChEMBL 6.679999828338623)
Descriptors: MW 687.84, ALogP 4.16, HBA 9, HBD 5, PSA 121.79, QED 0.2
Compound (SMILES): O=C(Nc1ccc2[nH]ccc2c1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
InChIKey: YHFFIZVSOADVRF-JEYPMZLKSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Inhibition of calcium mobilization in human eosinophils
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 462.61, ALogP 5.94, HBA 2, HBD 3, PSA 60.16, QED 0.42
Compound (SMILES): O=C(Nc1ccc2[nH]ncc2c1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
InChIKey: MLPROCBAZKTJHS-STWLZBDKSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Inhibition of calcium mobilization in human eosinophils
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 463.6, ALogP 5.34, HBA 3, HBD 3, PSA 73.05, QED 0.46
Compound (SMILES): Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)[C@@H]4Oc6c(O)ccc7c6[C@@]46CCN(CC4CC4)[C@H](C7)[C@]6(O)C5)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey: YFEFMSMEIWBCRN-CLLGMEHYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P33533
Assay: Inhibition of [3H]diprenorphine binding to rat Opioid receptor delta 1 expressed in C6 cells
Measurement: Ki = 8.6 nM (pChEMBL 8.069999694824219)
Descriptors: MW 751.92, ALogP 5.35, HBA 9, HBD 4, PSA 110.79, QED 0.21
Compound (SMILES): COC(=O)C1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4cc(F)cc(F)c4)cc1)CN23
InChIKey: PTFCHFCOVWPZNY-UNVBVKJYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31652
Assay: Inhibitory constant against reuptake of [3H]5-HT at serotonin transporter of rat midbrain cortex
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 395.45, ALogP 4.67, HBA 3, HBD 0, PSA 29.54, QED 0.71
Compound (SMILES): COC(=O)C1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(-c4ccc(F)c(F)c4)cc1)CN23
InChIKey: ZWSYVYDIGZMJAY-HKQQOHEJSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31652
Assay: Inhibitory constant against reuptake of [3H]5-HT at serotonin transporter of rat midbrain cortex
Measurement: Ki = 295 nM (pChEMBL 6.53000020980835)
Descriptors: MW 395.45, ALogP 4.67, HBA 3, HBD 0, PSA 29.54, QED 0.71
Compound (SMILES): O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1
InChIKey: PEOZESLDPFYTRU-WYMJOSIYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibitory activity against human Potassium channel HERG
Measurement: IC50 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 504.65, ALogP 5.01, HBA 5, HBD 1, PSA 61.08, QED 0.47
Compound (SMILES): CCCCOc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(N)c1C(=O)c1c(F)cccc1F
InChIKey: YDLIDSKVQPSYJF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: In vitro inhibitory concentration against Vascular endothelial growth factor receptor 2
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 476.51, ALogP 3.74, HBA 7, HBD 3, PSA 137.4, QED 0.32
Compound (SMILES): CN(C)CC1CC2c3ccccc3Oc3ccccc3C2O1
InChIKey: KUCRPWOVGMMXDP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: In vitro binding affinity against 5-hydroxytryptamine 2A receptor using [125I]R91150 as radioligand expressed in L929 cells
Measurement: Ki = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 295.38, ALogP 3.97, HBA 3, HBD 0, PSA 21.7, QED 0.84
Compound (SMILES): N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2cncn2)c1
InChIKey: IDBKPZKIXIAOMU-UHFFFAOYSA-N
Target: Adenosine receptor A2a (SINGLE PROTEIN), Homo sapiens
UniProt: P29274
Assay: Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells
Measurement: Ki = 3580 nM (pChEMBL 5.449999809265137)
Descriptors: MW 346.38, ALogP 2.8, HBA 9, HBD 1, PSA 105.2, QED 0.61
Compound (SMILES): N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2ccnc2)c1
InChIKey: PPRXFZNIKRYLIS-UHFFFAOYSA-N
Target: Adenosine receptor A2a (SINGLE PROTEIN), Homo sapiens
UniProt: P29274
Assay: Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells
Measurement: Ki = 349 nM (pChEMBL 6.460000038146973)
Descriptors: MW 345.39, ALogP 3.4, HBA 8, HBD 1, PSA 92.31, QED 0.61
Compound (SMILES): Cc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(C#N)c1
InChIKey: YNGFNKUXMJZNCR-UHFFFAOYSA-N
Target: Adenosine receptor A2a (SINGLE PROTEIN), Homo sapiens
UniProt: P29274
Assay: Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells
Measurement: Ki = 1670 nM (pChEMBL 5.78000020980835)
Descriptors: MW 359.42, ALogP 3.71, HBA 8, HBD 1, PSA 92.31, QED 0.6
Compound (SMILES): COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2
InChIKey: KQAZXGGJWOJJAY-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1B (SINGLE PROTEIN), Homo sapiens
UniProt: P28222
Assay: Binding affinity against cloned human 5-hydroxytryptamine 1B receptor
Measurement: Ki = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 410.47, ALogP 2.49, HBA 6, HBD 0, PSA 79.16, QED 0.56
Compound (SMILES): COc1cc2c(cc1N1C[C@@H](C)N(C)[C@@H](C)C1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2
InChIKey: HBJJOFXBBJNZHP-CALCHBBNSA-N
Target: 5-hydroxytryptamine receptor 1B (SINGLE PROTEIN), Homo sapiens
UniProt: P28222
Assay: Binding affinity against cloned human 5-hydroxytryptamine 1B receptor
Measurement: Ki = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 438.53, ALogP 3.26, HBA 6, HBD 0, PSA 79.16, QED 0.53
Compound (SMILES): O=C1c2ccccc2C(=O)N1C1C=C(C#Cc2ccccn2)CCC1
InChIKey: AJBNCPAXQVKUKD-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane
Measurement: Ki = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 328.37, ALogP 3.21, HBA 3, HBD 0, PSA 50.27, QED 0.6
Compound (SMILES): C(#Cc1ccccn1)C1=CC(N2CCOCC2)CCC1
InChIKey: MCJNQTKTSWIMGK-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane
Measurement: Ki = 683 nM (pChEMBL 6.170000076293945)
Descriptors: MW 268.36, ALogP 2.24, HBA 3, HBD 0, PSA 25.36, QED 0.73
Compound (SMILES): O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCN=C=S)NC1CC1
InChIKey: DJIKFQSZUJSZMN-DTLRTWKJSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Mus musculus
UniProt: P47936
Assay: Binding affinity towards mouse spleen cannabinoid receptor 2 in the presence of PMSF upon incubation for 15 min at 4 degree C in pH 7.4 using [3H]CP-55940
Measurement: Ki = 48.5 nM (pChEMBL 7.309999942779541)
Descriptors: MW 400.63, ALogP 6.49, HBA 3, HBD 1, PSA 41.46, QED 0.13
Compound (SMILES): [N-]=[N+]=NCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
InChIKey: APVKIRJJFMYWIO-DTLRTWKJSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Mus musculus
UniProt: P47936
Assay: Binding affinity towards mouse spleen cannabinoid receptor 2 in the presence of PMSF upon incubation for 15 min at 4 degree C in pH 7.4 using [3H]CP-55940
Measurement: Ki = 57.6 nM (pChEMBL 7.239999771118164)
Descriptors: MW 384.57, ALogP 6.7, HBA 2, HBD 1, PSA 77.86, QED 0.1
Compound (SMILES): CCCCCOc1ccccc1C(O)C/C=C\CCCC(=O)OC
InChIKey: LZIMGBTYAMFZEJ-ALCCZGGFSA-N
Target: Peroxisome proliferator-activated receptor gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P37231
Assay: In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay
Measurement: EC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 334.46, ALogP 4.58, HBA 4, HBD 1, PSA 55.76, QED 0.35
Compound (SMILES): CCCCCOc1ccccc1C(O)C/C=C\CCCC(=O)[O-].[Na+]
InChIKey: VMPSLCBWTZABEE-YHSAGPEESA-M
Target: Peroxisome proliferator-activated receptor gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P37231
Assay: In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay
Measurement: EC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 320.43, ALogP 4.49, HBA 3, HBD 2, PSA 66.76, QED 0.44
Compound (SMILES): CCCCCOc1nc2ccccc2cc1C(O)C/C=C\CCCC(=O)OC
InChIKey: IKYCKIQRJZRAQA-ALCCZGGFSA-N
Target: Peroxisome proliferator-activated receptor gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P37231
Assay: In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay
Measurement: EC50 = 1546 nM (pChEMBL 5.809999942779541)
Descriptors: MW 385.5, ALogP 5.13, HBA 5, HBD 1, PSA 68.65, QED 0.31
Compound (SMILES): CCCCCOc1cc2ccccc2cc1C(O)C/C=C\CCCC(=O)[O-].[Na+]
InChIKey: WGSRRQCWJQZRIW-YHSAGPEESA-M
Target: Peroxisome proliferator-activated receptor gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P37231
Assay: In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay
Measurement: EC50 = 1503 nM (pChEMBL 5.820000171661377)
Descriptors: MW 370.49, ALogP 5.64, HBA 3, HBD 2, PSA 66.76, QED 0.37
Compound (SMILES): CCCCCOc1nc2ccccc2cc1C(O)C/C=C\CCCC(=O)[O-].[Na+]
InChIKey: CYWMTUOXZDWGNS-YHSAGPEESA-M
Target: Peroxisome proliferator-activated receptor gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P37231
Assay: In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay
Measurement: EC50 = 1195 nM (pChEMBL 5.920000076293945)
Descriptors: MW 371.48, ALogP 5.04, HBA 4, HBD 2, PSA 79.65, QED 0.4
Compound (SMILES): CCCCCOc1nc2ccccc2cc1C(O)CCCCCC(=O)[O-].[Na+]
InChIKey: GUSUQPHAZSNELQ-UHFFFAOYSA-M
Target: Peroxisome proliferator-activated receptor gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P37231
Assay: In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay
Measurement: EC50 = 1566 nM (pChEMBL 5.800000190734863)
Descriptors: MW 359.47, ALogP 4.87, HBA 4, HBD 2, PSA 79.65, QED 0.53
Compound (SMILES): Cc1ccccc1-c1ccc(NC(=O)C[C@H](N)C(=O)O)cc1
InChIKey: COQZBTDDWHZQFD-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 298.34, ALogP 2.4, HBA 3, HBD 3, PSA 92.42, QED 0.79
Compound (SMILES): CCc1cc(-c2ccc(F)c(Cl)c2)ccc1NC(=O)C[C@H](N)C(=O)O
InChIKey: FAAZYFWXJOLYDB-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 364.8, ALogP 3.45, HBA 3, HBD 3, PSA 92.42, QED 0.73
Compound (SMILES): Cc1cc(NC(=O)C[C@H](N)C(=O)O)ccc1-c1cccc(C(F)(F)F)c1
InChIKey: OXLGRRCHUJEPLH-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 366.34, ALogP 3.42, HBA 3, HBD 3, PSA 92.42, QED 0.76
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc(-c2ccc(F)c(Cl)c2)c(C(F)(F)F)c1)C(=O)O
InChIKey: MJVRZPPTZDJHOD-AWEZNQCLSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 404.75, ALogP 3.91, HBA 3, HBD 3, PSA 92.42, QED 0.66
Compound (SMILES): Cc1ccc(NC(=O)C[C@H](N)C(=O)O)cc1-c1cccc(C(F)(F)F)c1
InChIKey: ZSBSNYMQEXQWQT-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P43005
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 3
Measurement: IC50 = 9000 nM (pChEMBL 5.050000190734863)
Descriptors: MW 366.34, ALogP 3.42, HBA 3, HBD 3, PSA 92.42, QED 0.76
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O
InChIKey: NGYBWUWAZHMQRP-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 314.32, ALogP 2.14, HBA 3, HBD 3, PSA 92.42, QED 0.69
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(Cl)ccc1-2)C(=O)O
InChIKey: WXVBLLQGBPMCBA-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 330.77, ALogP 2.65, HBA 3, HBD 3, PSA 92.42, QED 0.69
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2)C(=O)O
InChIKey: UWHHZYOBBZGRIH-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 375.22, ALogP 2.76, HBA 3, HBD 3, PSA 92.42, QED 0.65
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1c(Cl)cc(Cl)cc1-2)C(=O)O
InChIKey: UJOVSQYLMTYASM-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 365.22, ALogP 3.31, HBA 3, HBD 3, PSA 92.42, QED 0.66
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(C(F)(F)F)ccc1-2)C(=O)O
InChIKey: RQMJHVCNUOBABB-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 3800 nM (pChEMBL 5.420000076293945)
Descriptors: MW 364.32, ALogP 3.02, HBA 3, HBD 3, PSA 92.42, QED 0.66
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc2oc3cc(F)c(F)cc3c2c1)C(=O)O
InChIKey: ZWSCZNCTZIFFBX-LBPRGKRZSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 334.28, ALogP 2.6, HBA 4, HBD 3, PSA 105.56, QED 0.68
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)O
InChIKey: UMROIBNSBXKJGZ-AWEZNQCLSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 336.29, ALogP 2.5, HBA 4, HBD 3, PSA 101.65, QED 0.75
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)O
InChIKey: VNESGVWLCUTKMJ-AWEZNQCLSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 352.31, ALogP 3.11, HBA 3, HBD 3, PSA 92.42, QED 0.77
Compound (SMILES): Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)C[C@H](N)C(=O)O
InChIKey: ZUJCVROZZWXJLM-AWEZNQCLSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 366.34, ALogP 3.42, HBA 3, HBD 3, PSA 92.42, QED 0.76
Compound (SMILES): Cc1cc(NC(=O)C[C@H](N)C(=O)O)ccc1-c1ccc(C(F)(F)F)cc1
InChIKey: JHPMJNZQSSOYSF-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 366.34, ALogP 3.42, HBA 3, HBD 3, PSA 92.42, QED 0.76
Compound (SMILES): Cc1cc(NC(=O)C[C@H](N)C(=O)O)ccc1-c1ccc(Cl)cc1
InChIKey: QMRRQNBUFUTPRG-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 332.79, ALogP 3.06, HBA 3, HBD 3, PSA 92.42, QED 0.78
Compound (SMILES): Cc1cc(NC(=O)C[C@H](N)C(=O)O)ccc1-c1ccc(Cl)c(Cl)c1
InChIKey: MBQGVKLYPFNSIW-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 367.23, ALogP 3.71, HBA 3, HBD 3, PSA 92.42, QED 0.75
Compound (SMILES): N[C@@H](CC(=O)Nc1c(F)c(F)c(-c2cccc(C(F)(F)F)c2)c(F)c1F)C(=O)O
InChIKey: XHYJLDWUJNYZML-QMMMGPOBSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 424.27, ALogP 3.67, HBA 3, HBD 3, PSA 92.42, QED 0.5
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O
InChIKey: RRVNMFFPCRSEBP-SFHVURJKSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 100000 nM (pChEMBL 4)
Descriptors: MW 334.38, ALogP 3.25, HBA 3, HBD 3, PSA 92.42, QED 0.67
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc(Cc2ccccc2)cc1)C(=O)O
InChIKey: WDYJIQGHSWOBSI-HNNXBMFYSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 22000 nM (pChEMBL 4.659999847412109)
Descriptors: MW 298.34, ALogP 2.02, HBA 3, HBD 3, PSA 92.42, QED 0.76
Compound (SMILES): N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)O
InChIKey: JBLRMICHCQXNOR-AWEZNQCLSA-N
Target: Excitatory amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P43003
Assay: Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 310.31, ALogP 1.64, HBA 4, HBD 3, PSA 109.49, QED 0.68
Compound (SMILES): CC(=O)N1CCCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21
InChIKey: SKPNANPTKQORRY-LOYHVIPDSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q01726
Assay: Inhibition of [125I]-NDP MSH binding towards human melanocortin 1 receptor
Measurement: Ki = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 600.16, ALogP 3.73, HBA 5, HBD 2, PSA 84.99, QED 0.45
Compound (SMILES): O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1)[C@H]1Cc2ccccc2CN1
InChIKey: CHKKKMVWAASWKU-VSJLXWSYSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q01726
Assay: Inhibition of [125I]-NDP MSH binding towards human melanocortin 1 receptor
Measurement: Ki = 7000 nM (pChEMBL 5.159999847412109)
Descriptors: MW 698.29, ALogP 4.18, HBA 6, HBD 2, PSA 102.06, QED 0.29
Compound (SMILES): O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CCCC3)CC1)[C@H]1Cc2ccccc2CN1
InChIKey: AGARXGRVNIJDFP-LOYHVIPDSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q01726
Assay: Inhibition of [125I]-NDP MSH binding towards human melanocortin 1 receptor
Measurement: Ki = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 557.14, ALogP 4.31, HBA 4, HBD 2, PSA 64.68, QED 0.47
Compound (SMILES): CN(C)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1
InChIKey: BOSMDIPMRDHNDU-HMDBZMABSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q01726
Assay: Inhibition of [125I]-NDP MSH binding towards human melanocortin 1 receptor
Measurement: Ki = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 600.21, ALogP 3.85, HBA 5, HBD 2, PSA 67.92, QED 0.43
Compound (SMILES): COc1cc2c(NC3=CC(=O)C(OCc4ccco4)=CC3=O)ncnc2cc1OCCCN1CCCC1
InChIKey: AGSBBYWOIJYGFT-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 504.54, ALogP 3.64, HBA 10, HBD 1, PSA 116.02, QED 0.31
Compound (SMILES): COc1cc2c(NC3=CC(=O)C(OCC(F)F)=CC3=O)ncnc2cc1OCCCN1CCCC1
InChIKey: BPUBCSOLJYVZOX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 18.3 nM (pChEMBL 7.739999771118164)
Descriptors: MW 488.49, ALogP 3.12, HBA 9, HBD 1, PSA 102.88, QED 0.38
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(N4CCC(Cc5ccccc5)CC4)=CC3=O)c2cc1OC
InChIKey: CAXZFXRSCLKMIJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 231.8 nM (pChEMBL 6.630000114440918)
Descriptors: MW 528.61, ALogP 3.95, HBA 9, HBD 1, PSA 102.88, QED 0.31
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=CC3=O)c2cc1OC
InChIKey: JJWDGFHYXVCNTQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 389.8, ALogP 2.23, HBA 8, HBD 1, PSA 99.64, QED 0.57
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(N(C)C)=CC3=O)c2cc1OC
InChIKey: UUBZWAIPFFICKP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 5000.3 nM (pChEMBL 5.300000190734863)
Descriptors: MW 398.42, ALogP 1.56, HBA 9, HBD 1, PSA 102.88, QED 0.52
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(N4CCOCC4)=CC3=O)c2cc1OC
InChIKey: ZFNKWFXFKRJHMO-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expressed in KDR15 cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 440.46, ALogP 1.33, HBA 10, HBD 1, PSA 112.11, QED 0.48
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(OC(C)C)=CC3=O)c2cc1OC
InChIKey: INCFEBMAXCEDKF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 413.43, ALogP 2.42, HBA 9, HBD 1, PSA 108.87, QED 0.49
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(N4CCN(Cc5ccccc5)CC4)=CC3=O)c2cc1OC
InChIKey: ZAGFZSSYVPPYHQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 125.4 nM (pChEMBL 6.900000095367432)
Descriptors: MW 529.6, ALogP 2.81, HBA 10, HBD 1, PSA 106.12, QED 0.31
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=C(Cl)C3=O)c2cc1OC
InChIKey: GVKMWIQIPNJGDT-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 70.9 nM (pChEMBL 7.150000095367432)
Descriptors: MW 483.86, ALogP 2.89, HBA 9, HBD 1, PSA 108.87, QED 0.38
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(OC)=C(Cl)C3=O)c2cc1OC
InChIKey: RMOMQGWOWUADTR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 20.9 nM (pChEMBL 7.679999828338623)
Descriptors: MW 419.82, ALogP 2.21, HBA 9, HBD 1, PSA 108.87, QED 0.51
Compound (SMILES): COCCOc1cc2ncnc(NC3=C(SC)C(=O)C(OC)=C(Cl)C3=O)c2cc1OC
InChIKey: VAIMARJQCKJTNG-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 465.92, ALogP 2.9, HBA 10, HBD 1, PSA 108.87, QED 0.44
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4ccccc4)=CC3=O)c2cc1OC
InChIKey: HAAIPHUOKJECPK-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 447.45, ALogP 3.07, HBA 9, HBD 1, PSA 108.87, QED 0.39
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=CC3=O)c2cc1OC
InChIKey: CTIUEAVLGKLBEJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 21.3 nM (pChEMBL 7.670000076293945)
Descriptors: MW 449.41, ALogP 2.32, HBA 9, HBD 1, PSA 108.87, QED 0.41
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccnc4)=CC3=O)c2cc1OC
InChIKey: HSVARJCHTHWILA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 110.5 nM (pChEMBL 6.960000038146973)
Descriptors: MW 462.46, ALogP 2.61, HBA 10, HBD 1, PSA 121.76, QED 0.36
Compound (SMILES): O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21
InChIKey: SHUVSCHNMZHWMV-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 582 nM (pChEMBL 6.239999771118164)
Descriptors: MW 597.1, ALogP 2.75, HBA 8, HBD 3, PSA 132.44, QED 0.31
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C=CC3=O)c2cc1OC
InChIKey: QGHREIIGQGMVTP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expressed in KDR15 cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 355.35, ALogP 1.67, HBA 8, HBD 1, PSA 99.64, QED 0.59
Compound (SMILES): O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21
InChIKey: VMLXQVRAOYTIFJ-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 615 nM (pChEMBL 6.210000038146973)
Descriptors: MW 527, ALogP 2.93, HBA 6, HBD 3, PSA 128.17, QED 0.37
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(N4CCCCC4)=CC3=O)c2cc1OC
InChIKey: GGZYCXRYKHXMHU-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 438.48, ALogP 2.48, HBA 9, HBD 1, PSA 102.88, QED 0.49
Compound (SMILES): O=C(CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1)NCCCO
InChIKey: LJBMSTHKEBIGFN-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 598.08, ALogP 2.44, HBA 7, HBD 4, PSA 157.27, QED 0.19
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)cc4)=CC3=O)c2cc1OC
InChIKey: UGFSMYYKVIDJFS-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 32.7 nM (pChEMBL 7.489999771118164)
Descriptors: MW 479.46, ALogP 3.35, HBA 9, HBD 1, PSA 108.87, QED 0.35
Compound (SMILES): COc1cc2c(NC3=CC(=O)C(OCCN(C)c4ccccc4)=CC3=O)ncnc2cc1OCC1CCN(C)CC1
InChIKey: MUKKZDFFRCURFS-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 15.3 nM (pChEMBL 7.820000171661377)
Descriptors: MW 557.65, ALogP 3.84, HBA 10, HBD 1, PSA 106.12, QED 0.35
Compound (SMILES): O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21
InChIKey: ZLVIQYFQBVQPGT-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 133 nM (pChEMBL 6.880000114440918)
Descriptors: MW 598.08, ALogP 2.72, HBA 8, HBD 2, PSA 129.64, QED 0.34
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4ccc(-n5ccnc5)cc4)=CC3=O)c2cc1OC
InChIKey: GHIMBGCTNOYREA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 513.51, ALogP 3.26, HBA 11, HBD 1, PSA 126.69, QED 0.25
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(OC(c4ccccc4)C(F)(F)F)=CC3=O)c2cc1OC
InChIKey: VRUMEXWWYOYMKY-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 365.9 nM (pChEMBL 6.440000057220459)
Descriptors: MW 529.47, ALogP 4.32, HBA 9, HBD 1, PSA 108.87, QED 0.3
Compound (SMILES): CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: SBYOJGQINPGOFZ-FSRJSHLRSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 598.08, ALogP 2.66, HBA 8, HBD 2, PSA 137.48, QED 0.2
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4F)=CC3=O)c2cc1OC
InChIKey: BOFKJMGKQNXFJX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 479.46, ALogP 3.35, HBA 9, HBD 1, PSA 108.87, QED 0.35
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=C(OCC4CC4)C3=O)c2cc1OC
InChIKey: UXSZLPFXYMMYQZ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 459.89, ALogP 2.99, HBA 9, HBD 1, PSA 108.87, QED 0.42
Compound (SMILES): COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=C(OC)C3=O)c2cc1OC
InChIKey: ZAXSJQBJPFXJDP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 479.44, ALogP 2.29, HBA 10, HBD 1, PSA 118.1, QED 0.36
Compound (SMILES): COc1cc2c(NC3=CC(=O)C(OC(CF)CF)=CC3=O)ncnc2cc1OCCCN1CCCC1
InChIKey: CBSHBGUVQMYJHI-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 12.8 nM (pChEMBL 7.889999866485596)
Descriptors: MW 502.52, ALogP 3.16, HBA 9, HBD 1, PSA 102.88, QED 0.35
Compound (SMILES): CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(C)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1
InChIKey: PKJXBTOESGFNEK-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 506.58, ALogP 3.45, HBA 6, HBD 2, PSA 117.17, QED 0.45
Compound (SMILES): COC(=O)c1cccc2c1NC(=O)/C2=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCCN(C)C)cc1
InChIKey: UZIXSOYCYNWDNI-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 1286 nM (pChEMBL 5.889999866485596)
Descriptors: MW 628.11, ALogP 3.13, HBA 9, HBD 2, PSA 146.71, QED 0.18
Compound (SMILES): CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)N(CC(N)=O)c3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: GYHQAEKZTVAKRJ-MDVFONAFSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 1103 nM (pChEMBL 5.960000038146973)
Descriptors: MW 627.12, ALogP 2.22, HBA 8, HBD 2, PSA 154.71, QED 0.22
Compound (SMILES): CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(CO)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1
InChIKey: LWAGCEQSXBGKFO-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 522.58, ALogP 2.42, HBA 7, HBD 3, PSA 137.4, QED 0.37
Compound (SMILES): CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: AGFYOHRHWFUWBJ-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 471 nM (pChEMBL 6.329999923706055)
Descriptors: MW 512.98, ALogP 3.41, HBA 6, HBD 2, PSA 117.17, QED 0.45
Compound (SMILES): COc1cc2c(NC3=CC(=O)C(OCc4ccccn4)=CC3=O)ncnc2cc1OCCCN1CCCC1
InChIKey: NGDVZBFTXZRYPY-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
Measurement: IC50 = 15.1 nM (pChEMBL 7.820000171661377)
Descriptors: MW 515.57, ALogP 3.45, HBA 10, HBD 1, PSA 115.77, QED 0.3
Compound (SMILES): CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1
InChIKey: KADSBHRUZZTVJC-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 618 nM (pChEMBL 6.210000038146973)
Descriptors: MW 571.06, ALogP 2.73, HBA 8, HBD 2, PSA 133.3, QED 0.27
Compound (SMILES): CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: HIQATIKDFNQXOP-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 570.07, ALogP 3.34, HBA 7, HBD 2, PSA 120.41, QED 0.27
Compound (SMILES): CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1
InChIKey: DWBXKUWLRDJMQF-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 3610 nM (pChEMBL 5.440000057220459)
Descriptors: MW 513.96, ALogP 2.8, HBA 7, HBD 2, PSA 130.06, QED 0.45
Compound (SMILES): CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: LWNJDAOBKCPZOY-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 176 nM (pChEMBL 6.75)
Descriptors: MW 556.04, ALogP 2.95, HBA 7, HBD 2, PSA 120.41, QED 0.37
Compound (SMILES): O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)N/N=C1\C(=O)Nc2ccccc21
InChIKey: QCIUZJCYSFMRCR-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 474.95, ALogP 3.07, HBA 6, HBD 2, PSA 107.94, QED 0.54
Compound (SMILES): Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C#N)cc2)cc1
InChIKey: AULHQTICNXXEBN-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 6880 nM (pChEMBL 5.159999847412109)
Descriptors: MW 473.51, ALogP 2.53, HBA 6, HBD 2, PSA 131.73, QED 0.53
Compound (SMILES): Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2cccc3ccccc23)cc1
InChIKey: JXIGIYONGSQKLR-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 498.56, ALogP 3.82, HBA 5, HBD 2, PSA 107.94, QED 0.39
Compound (SMILES): O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21
InChIKey: WWKDOYKVFAPFBA-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 611 nM (pChEMBL 6.210000038146973)
Descriptors: MW 468.92, ALogP 3.01, HBA 5, HBD 2, PSA 107.94, QED 0.54
Compound (SMILES): COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: SYQHKFJZYINWHL-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 511 nM (pChEMBL 6.289999961853027)
Descriptors: MW 587.05, ALogP 3.05, HBA 8, HBD 2, PSA 135.63, QED 0.23
Compound (SMILES): CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: LEIJPHABCJFILJ-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 1390 nM (pChEMBL 5.860000133514404)
Descriptors: MW 527, ALogP 3.8, HBA 6, HBD 2, PSA 117.17, QED 0.41
Compound (SMILES): CCCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: SRGYYVFVMRNETP-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 3980 nM (pChEMBL 5.400000095367432)
Descriptors: MW 541.03, ALogP 4.19, HBA 6, HBD 2, PSA 117.17, QED 0.3
Compound (SMILES): COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: BLNZMQLSYBZPRO-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 1180 nM (pChEMBL 5.929999828338623)
Descriptors: MW 543, ALogP 3.03, HBA 7, HBD 2, PSA 126.4, QED 0.3
Compound (SMILES): CCCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: BCDJDRUARAADBL-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 2120 nM (pChEMBL 5.670000076293945)
Descriptors: MW 511, ALogP 3.96, HBA 5, HBD 2, PSA 107.94, QED 0.45
Compound (SMILES): CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: IJNSLJVDMQFOPU-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 4940 nM (pChEMBL 5.309999942779541)
Descriptors: MW 525.03, ALogP 4.31, HBA 5, HBD 2, PSA 107.94, QED 0.47
Compound (SMILES): CCC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey: ICWWEAORXDWNNY-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 539.06, ALogP 4.7, HBA 5, HBD 2, PSA 107.94, QED 0.41
Compound (SMILES): COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1
InChIKey: ZRXFNSDCBBRXNT-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 437 nM (pChEMBL 6.360000133514404)
Descriptors: MW 478.53, ALogP 2.67, HBA 6, HBD 2, PSA 117.17, QED 0.51
Compound (SMILES): CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1
InChIKey: WELZXYRRUGRPLI-UHFFFAOYSA-N
Target: Vasopressin V1a receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P37288
Assay: Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
Measurement: Ki = 3730 nM (pChEMBL 5.429999828338623)
Descriptors: MW 506.58, ALogP 3.45, HBA 6, HBD 2, PSA 117.17, QED 0.43
Compound (SMILES): C#CCC(C(=O)c1ccc(C)cc1)N1CCCC1
InChIKey: RRFLDGUEDAERPR-UHFFFAOYSA-N
Target: Sodium-dependent dopamine transporter (SINGLE PROTEIN), Homo sapiens
UniProt: Q01959
Assay: Inhibition of [3H] dopamine uptake into human DAT expressed in HEK293 cells
Measurement: IC50 = 231 nM (pChEMBL 6.639999866485596)
Descriptors: MW 241.33, ALogP 2.67, HBA 2, HBD 0, PSA 20.31, QED 0.6
Compound (SMILES): Cc1cc(N2C[C@@H](C)NC[C@@H]2C)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIKey: IYVHFHFBTVDGKU-SJORKVTESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Inhibition of human MCH1 receptor by SPA assay
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 488.51, ALogP 4.65, HBA 6, HBD 2, PSA 75.72, QED 0.53
Compound (SMILES): CC1(C)C=C(C(F)(F)F)c2cc(Cl)c(OCCCOc3ccc(CC(C)(C)C(=O)O)cc3)cc2O1
InChIKey: WLJCQVWVVZSGTI-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Transactivation by human PPAR alpha in COS1 cells
Measurement: EC50 = 7.3 nM (pChEMBL 8.140000343322754)
Descriptors: MW 512.95, ALogP 6.96, HBA 4, HBD 1, PSA 64.99, QED 0.37