lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(O)ccc2O)cc1
InChIKey: VECAPNRNENAFQQ-OAHLLOKOSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAO-A using p-tyramine as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by fluorescence plate reader analysis
Measurement: IC50 = 1030 nM (pChEMBL 5.989999771118164)
Descriptors: MW 324.42, ALogP 3.21, HBA 4, HBD 3, PSA 55.73, QED 0.54
Compound (SMILES): OC(CO/N=C/c1ccc(OC(F)F)c(OC2CCCC2)c1)CN1CCOCC1
InChIKey: HOXHVATUHQBKTK-FSJBWODESA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4D (SINGLE PROTEIN), Homo sapiens
UniProt: Q08499
Assay: Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay
Measurement: IC50 = 1490 nM (pChEMBL 5.829999923706055)
Descriptors: MW 414.45, ALogP 2.65, HBA 7, HBD 1, PSA 72.75, QED 0.47
Compound (SMILES): CC1CN(CC(O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)CC(C)O1
InChIKey: MDJHXIUMWXMUPM-KIBLKLHPSA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4D (SINGLE PROTEIN), Homo sapiens
UniProt: Q08499
Assay: Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 442.5, ALogP 3.43, HBA 7, HBD 1, PSA 72.75, QED 0.44
Compound (SMILES): OC1CCN(CC(O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)CC1
InChIKey: HTIQENVVWCWDSV-WYMPLXKRSA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4D (SINGLE PROTEIN), Homo sapiens
UniProt: Q08499
Assay: Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay
Measurement: IC50 = 2540 nM (pChEMBL 5.590000152587891)
Descriptors: MW 428.48, ALogP 2.78, HBA 7, HBD 2, PSA 83.75, QED 0.44
Compound (SMILES): CC1CN(NCC(O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)CC(C)O1
InChIKey: JIVVUPWZBDEZRS-NSKAYECMSA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4D (SINGLE PROTEIN), Homo sapiens
UniProt: Q08499
Assay: Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 457.52, ALogP 2.93, HBA 8, HBD 2, PSA 84.78, QED 0.39
Compound (SMILES): O=C(CO/N=C/c1ccc(OC(F)F)c(OC2CCCC2)c1)N1CCOCC1
InChIKey: ZNDCHRHQFOXGTB-WSDLNYQXSA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4D (SINGLE PROTEIN), Homo sapiens
UniProt: Q08499
Assay: Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay
Measurement: IC50 = 1120 nM (pChEMBL 5.949999809265137)
Descriptors: MW 398.41, ALogP 2.82, HBA 6, HBD 0, PSA 69.59, QED 0.5
Compound (SMILES): CC1CN(C(=O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)CC(C)O1
InChIKey: YRGXPDDUADZCCU-YSURURNPSA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4D (SINGLE PROTEIN), Homo sapiens
UniProt: Q08499
Assay: Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay
Measurement: IC50 = 4840 nM (pChEMBL 5.320000171661377)
Descriptors: MW 426.46, ALogP 3.6, HBA 6, HBD 0, PSA 69.59, QED 0.47
Compound (SMILES): O=C(CO/N=C/c1ccc(OC(F)F)c(OC2CCCC2)c1)N1CCC(O)CC1
InChIKey: SUSOJPQGOKDRRD-FSJBWODESA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4D (SINGLE PROTEIN), Homo sapiens
UniProt: Q08499
Assay: Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay
Measurement: IC50 = 2630 nM (pChEMBL 5.579999923706055)
Descriptors: MW 412.43, ALogP 2.94, HBA 6, HBD 1, PSA 80.59, QED 0.52
Compound (SMILES): CC1CN(C(=O)CCO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)CC(C)O1
InChIKey: XPOFGDHMYRXQEG-BRJLIKDPSA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4D (SINGLE PROTEIN), Homo sapiens
UniProt: Q08499
Assay: Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 440.49, ALogP 3.99, HBA 6, HBD 0, PSA 69.59, QED 0.33
Compound (SMILES): OC[C@H]1O[C@@H](Oc2ccc(C[C@@H]3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey: OEUGQYOMKCJJLJ-LOZMKZQPSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P10608
Assay: Agonist activity at beta2 adrenergic receptor in rat L6 cell lysate assessed as increase in intracellular 2-deoxyglucose uptake preincubated for 4 hrs followed by 2-deoxyglucose addition measured after 20 mins by fluorescence-based enzymatic assay relative to control
Measurement: EC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 433.46, ALogP -0.29, HBA 9, HBD 7, PSA 151.87, QED 0.32
Compound (SMILES): Cc1ccc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIKey: SZJYUWKKEMEBPC-UHFFFAOYSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 938 nM (pChEMBL 6.03000020980835)
Descriptors: MW 398.47, ALogP 3.94, HBA 5, HBD 1, PSA 87.9, QED 0.68
Compound (SMILES): Cc1cc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)cc(C)n1
InChIKey: QCSHHDMYTXAHSG-UHFFFAOYSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 398.47, ALogP 3.94, HBA 5, HBD 1, PSA 87.9, QED 0.68
Compound (SMILES): Cc1nn(C)cc1OCC1(c2ccccc2)CC1C(=O)Nc1ccc(C#N)cn1
InChIKey: FNTOAORJGMBRNK-UHFFFAOYSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 387.44, ALogP 2.97, HBA 6, HBD 1, PSA 92.83, QED 0.7
Compound (SMILES): CCn1cc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIKey: RLGBIGRTEBAQHQ-UHFFFAOYSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 391 nM (pChEMBL 6.409999847412109)
Descriptors: MW 401.47, ALogP 3.45, HBA 6, HBD 1, PSA 92.83, QED 0.65
Compound (SMILES): CCn1cc(OC[C@]2(c3ccccc3)C[C@@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIKey: RLGBIGRTEBAQHQ-XXBNENTESA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 401.47, ALogP 3.45, HBA 6, HBD 1, PSA 92.83, QED 0.65
Compound (SMILES): CCn1cc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIKey: RLGBIGRTEBAQHQ-WMZHIEFXSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 171 nM (pChEMBL 6.769999980926514)
Descriptors: MW 401.47, ALogP 3.45, HBA 6, HBD 1, PSA 92.83, QED 0.65
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIKey: UFIPVUPQYNWFFZ-WMZHIEFXSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 2491 nM (pChEMBL 5.599999904632568)
Descriptors: MW 399.45, ALogP 3.34, HBA 6, HBD 1, PSA 100.79, QED 0.68
Compound (SMILES): CCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1
InChIKey: WTPOPKWPGATTAB-YADARESESA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 121 nM (pChEMBL 6.920000076293945)
Descriptors: MW 413.48, ALogP 3.59, HBA 6, HBD 1, PSA 100.79, QED 0.64
Compound (SMILES): Cc1cnc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIKey: NMEVNMKFJKRALT-WMZHIEFXSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 399.45, ALogP 3.34, HBA 6, HBD 1, PSA 100.79, QED 0.68
Compound (SMILES): COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1
InChIKey: KGCFKTIHNRZJNJ-YADARESESA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 429.48, ALogP 3.17, HBA 7, HBD 1, PSA 110.02, QED 0.59
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c(C)n1
InChIKey: JJRXBWSNWRJYKQ-PGRDOPGGSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 1016 nM (pChEMBL 5.989999771118164)
Descriptors: MW 374.44, ALogP 3.46, HBA 5, HBD 1, PSA 77, QED 0.71
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)c(C)n1
InChIKey: TVYVZWIKIVBHHO-SIKLNZKXSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 391 nM (pChEMBL 6.409999847412109)
Descriptors: MW 374.44, ALogP 3.46, HBA 5, HBD 1, PSA 77, QED 0.71
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)c(C)n1
InChIKey: LKNAUMNSHGBEFF-SIKLNZKXSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 1581 nM (pChEMBL 5.800000190734863)
Descriptors: MW 374.44, ALogP 3.46, HBA 5, HBD 1, PSA 77, QED 0.71
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
InChIKey: ZGLVMUOFMYXASD-PGRDOPGGSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 137 nM (pChEMBL 6.860000133514404)
Descriptors: MW 392.43, ALogP 3.6, HBA 5, HBD 1, PSA 77, QED 0.69
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccc(F)n2)c(C)n1
InChIKey: JMECGVCNKQBWBA-HTAPYJJXSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 138 nM (pChEMBL 6.860000133514404)
Descriptors: MW 392.43, ALogP 3.6, HBA 5, HBD 1, PSA 77, QED 0.65
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(Cl)cn2)c(C)n1
InChIKey: ALURJXGAMCOREI-PGRDOPGGSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: Binding affinity to human OX1R by radioligand displacement binding assay
Measurement: Ki = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 408.89, ALogP 4.12, HBA 5, HBD 1, PSA 77, QED 0.66
Compound (SMILES): Cc1ccc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)nc1
InChIKey: MHTPGHOORJOWRZ-WMZHIEFXSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: Binding affinity to human OX2R by radioligand displacement binding assay
Measurement: Ki = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 388.47, ALogP 3.77, HBA 5, HBD 1, PSA 77, QED 0.7
Compound (SMILES): Cc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1
InChIKey: PGPJPHZRSHBGDL-WMZHIEFXSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: Binding affinity to human OX2R by radioligand displacement binding assay
Measurement: Ki = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 388.47, ALogP 3.77, HBA 5, HBD 1, PSA 77, QED 0.7
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1
InChIKey: NSBGTBRFTPITDV-FDDCHVKYSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: Binding affinity to human OX2R by radioligand displacement binding assay
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 406.46, ALogP 3.91, HBA 5, HBD 1, PSA 77, QED 0.67
Compound (SMILES): COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F
InChIKey: BMOOSZNCYAPHJA-GAJHUEQPSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: Binding affinity to human OX2R by radioligand displacement binding assay
Measurement: Ki = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 422.46, ALogP 3.61, HBA 6, HBD 1, PSA 86.23, QED 0.63
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccccc3F)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
InChIKey: QZLGYLUBGLYARP-HTAPYJJXSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: Binding affinity to human OX2R by radioligand displacement binding assay
Measurement: Ki = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 410.42, ALogP 3.74, HBA 5, HBD 1, PSA 77, QED 0.67
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccc(F)cc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
InChIKey: QWTZLWXSNDATQA-PGRDOPGGSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: Binding affinity to human OX2R by radioligand displacement binding assay
Measurement: Ki = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 410.42, ALogP 3.74, HBA 5, HBD 1, PSA 77, QED 0.67
Compound (SMILES): Cc1ncc(OC[C@@]2(c3cc(F)cc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
InChIKey: MBEDJOQGQILOOU-PGRDOPGGSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: Binding affinity to human OX2R by radioligand displacement binding assay
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 428.41, ALogP 3.88, HBA 5, HBD 1, PSA 77, QED 0.64
Compound (SMILES): Cc1ncc(OC[C@@]2(c3ccc(F)c(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
InChIKey: DMXOPLLJONJSEU-KSFYIVLOSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: Binding affinity to human OX2R by radioligand displacement binding assay
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 428.41, ALogP 3.88, HBA 5, HBD 1, PSA 77, QED 0.64
Compound (SMILES): Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1
InChIKey: NSLHDCHCESOVNO-FDDCHVKYSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: Binding affinity to human OX2R by radioligand displacement binding assay
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 424.45, ALogP 4.05, HBA 5, HBD 1, PSA 77, QED 0.65
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccccc2)no1)NO
InChIKey: DBTNFAVBINYBGQ-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 289.33, ALogP 2.74, HBA 5, HBD 2, PSA 88.25, QED 0.44
Compound (SMILES): Cc1ccc(-c2noc(CCCCCCC(=O)NO)n2)cc1
InChIKey: IUUGUWQXAQDURY-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 303.36, ALogP 3.04, HBA 5, HBD 2, PSA 88.25, QED 0.44
Compound (SMILES): COc1ccc(-c2noc(CCCCCCC(=O)NO)n2)cc1
InChIKey: WFRYLSWQFSMGLG-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 2180 nM (pChEMBL 5.659999847412109)
Descriptors: MW 319.36, ALogP 2.74, HBA 6, HBD 2, PSA 97.48, QED 0.42
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccc(C(F)(F)F)cc2)no1)NO
InChIKey: WROAVGYZMXHOGY-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 1920 nM (pChEMBL 5.71999979019165)
Descriptors: MW 357.33, ALogP 3.75, HBA 5, HBD 2, PSA 88.25, QED 0.43
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccc(F)cc2)no1)NO
InChIKey: FVTJGZIAOISPKL-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 1150 nM (pChEMBL 5.940000057220459)
Descriptors: MW 307.32, ALogP 2.87, HBA 5, HBD 2, PSA 88.25, QED 0.44
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccc(Cl)cc2)no1)NO
InChIKey: WIZZMLAZNGZVIV-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 323.78, ALogP 3.39, HBA 5, HBD 2, PSA 88.25, QED 0.44
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccccc2Cl)no1)NO
InChIKey: WMMBHKDJRGCVHO-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 323.78, ALogP 3.39, HBA 5, HBD 2, PSA 88.25, QED 0.44
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)NO
InChIKey: VKCRECLCBLZMRC-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 334.33, ALogP 2.64, HBA 7, HBD 2, PSA 131.39, QED 0.31
Compound (SMILES): O=C(CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1)NO
InChIKey: JWKUHJXRZYNWLF-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 334.33, ALogP 2.64, HBA 7, HBD 2, PSA 131.39, QED 0.31
Compound (SMILES): O=C(CCCCCCc1nc(-c2cccs2)no1)NO
InChIKey: CRHXGOZVNBEOPF-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 295.36, ALogP 2.8, HBA 6, HBD 2, PSA 88.25, QED 0.44
Compound (SMILES): O=C(CCCCCCc1nc(-c2cccnc2)no1)NO
InChIKey: ZASVWTCYZRUBTG-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 290.32, ALogP 2.13, HBA 6, HBD 2, PSA 101.14, QED 0.44
Compound (SMILES): Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccccc2)no1
InChIKey: YIKGMJNNHMFVDX-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 364.45, ALogP 4.45, HBA 5, HBD 2, PSA 94.04, QED 0.43
Compound (SMILES): Cc1ccc(-c2noc(CCCCCCC(=O)Nc3ccccc3N)n2)cc1
InChIKey: QOKAHFFPOVFSKD-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 378.48, ALogP 4.76, HBA 5, HBD 2, PSA 94.04, QED 0.41
Compound (SMILES): COc1ccc(-c2noc(CCCCCCC(=O)Nc3ccccc3N)n2)cc1
InChIKey: MBYDBOTUIXEYNK-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 910 nM (pChEMBL 6.039999961853027)
Descriptors: MW 394.48, ALogP 4.46, HBA 6, HBD 2, PSA 103.27, QED 0.39
Compound (SMILES): Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIKey: LSEUDKGCAODKJT-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 3040 nM (pChEMBL 5.519999980926514)
Descriptors: MW 432.45, ALogP 5.47, HBA 5, HBD 2, PSA 94.04, QED 0.35
Compound (SMILES): Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccc(F)cc2)no1
InChIKey: HEXWCSFYISOOQD-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 880 nM (pChEMBL 6.059999942779541)
Descriptors: MW 382.44, ALogP 4.59, HBA 5, HBD 2, PSA 94.04, QED 0.42
Compound (SMILES): Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccc(Cl)cc2)no1
InChIKey: QKSUTOWWQPDMED-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 1560 nM (pChEMBL 5.809999942779541)
Descriptors: MW 398.89, ALogP 5.1, HBA 5, HBD 2, PSA 94.04, QED 0.39
Compound (SMILES): Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccccc2Cl)no1
InChIKey: FQRQEWGLSFNJHM-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 4130 nM (pChEMBL 5.380000114440918)
Descriptors: MW 398.89, ALogP 5.1, HBA 5, HBD 2, PSA 94.04, QED 0.39
Compound (SMILES): Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1
InChIKey: LFIVTMAYYREDAU-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 8670 nM (pChEMBL 5.059999942779541)
Descriptors: MW 409.45, ALogP 4.36, HBA 7, HBD 2, PSA 137.18, QED 0.22
Compound (SMILES): Nc1ccccc1NC(=O)CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1
InChIKey: ZMIVXSPLTZNUFE-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 820 nM (pChEMBL 6.090000152587891)
Descriptors: MW 409.45, ALogP 4.36, HBA 7, HBD 2, PSA 137.18, QED 0.22
Compound (SMILES): Nc1ccccc1NC(=O)CCCCCCc1nc(-c2cccs2)no1
InChIKey: JRPMXODVZZRHCI-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 370.48, ALogP 4.51, HBA 6, HBD 2, PSA 94.04, QED 0.43
Compound (SMILES): Nc1ccccc1NC(=O)CCCCCCc1nc(-c2cccnc2)no1
InChIKey: HHWCETFNUZKCER-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 1050 nM (pChEMBL 5.980000019073486)
Descriptors: MW 365.44, ALogP 3.85, HBA 6, HBD 2, PSA 106.93, QED 0.44
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccccc2)no1)C(F)(F)F
InChIKey: RXPBVZUTMFSAEV-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 5320 nM (pChEMBL 5.269999980926514)
Descriptors: MW 326.32, ALogP 4.36, HBA 4, HBD 0, PSA 55.99, QED 0.68
Compound (SMILES): Cc1ccc(-c2noc(CCCCCCC(=O)C(F)(F)F)n2)cc1
InChIKey: MFAQYRQLOFFENO-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 340.35, ALogP 4.67, HBA 4, HBD 0, PSA 55.99, QED 0.66
Compound (SMILES): COc1ccc(-c2noc(CCCCCCC(=O)C(F)(F)F)n2)cc1
InChIKey: XUNMUTLLECBBTD-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 9630 nM (pChEMBL 5.019999980926514)
Descriptors: MW 356.34, ALogP 4.37, HBA 5, HBD 0, PSA 65.22, QED 0.62
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(F)(F)F
InChIKey: URYOTAYYLIYDDP-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 8250 nM (pChEMBL 5.079999923706055)
Descriptors: MW 394.31, ALogP 5.38, HBA 4, HBD 0, PSA 55.99, QED 0.45
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccc(F)cc2)no1)C(F)(F)F
InChIKey: AWNDMRWNHZGCTG-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 344.31, ALogP 4.5, HBA 4, HBD 0, PSA 55.99, QED 0.52
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F
InChIKey: UICKUIMSUIYJBI-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 360.76, ALogP 5.01, HBA 4, HBD 0, PSA 55.99, QED 0.62
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccccc2Cl)no1)C(F)(F)F
InChIKey: KNVWEOVHLXUVPP-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 7650 nM (pChEMBL 5.119999885559082)
Descriptors: MW 360.76, ALogP 5.01, HBA 4, HBD 0, PSA 55.99, QED 0.62
Compound (SMILES): O=C(CCCCCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F
InChIKey: DCXZBJAXRVMRDI-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 371.32, ALogP 4.27, HBA 6, HBD 0, PSA 99.13, QED 0.37
Compound (SMILES): O=C(CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(F)(F)F
InChIKey: BOKSHKSNYIKJED-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 3980 nM (pChEMBL 5.400000095367432)
Descriptors: MW 371.32, ALogP 4.27, HBA 6, HBD 0, PSA 99.13, QED 0.37
Compound (SMILES): O=C(CCCCCCc1nc(-c2cccs2)no1)C(F)(F)F
InChIKey: OQDQSWQELXRROW-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
Measurement: IC50 = 5170 nM (pChEMBL 5.289999961853027)
Descriptors: MW 332.35, ALogP 4.42, HBA 5, HBD 0, PSA 55.99, QED 0.67
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(N)=O
InChIKey: XVOCEQLNJQGCQG-UNAVROQCSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor by inositol phosphate turnover assay
Measurement: IC50 = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 1516.86
Compound (SMILES): CCCn1cc(-c2cnc(NCc3ccc4sccc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1
InChIKey: LUEKHBCJWLRBOI-UHFFFAOYSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 539.66, ALogP 5.75, HBA 8, HBD 2, PSA 90.3, QED 0.25
Compound (SMILES): CCCn1cc(-c2cnc(NCc3ccc4occc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1
InChIKey: ZAMKAWBOMFPFIN-UHFFFAOYSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 720 nM (pChEMBL 6.139999866485596)
Descriptors: MW 523.59, ALogP 5.28, HBA 8, HBD 2, PSA 103.44, QED 0.27
Compound (SMILES): CCCn1cc(-c2cnc(NCc3ccc4ncsc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1
InChIKey: LAQZTWTXQQXCRH-UHFFFAOYSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 900 nM (pChEMBL 6.050000190734863)
Descriptors: MW 540.65, ALogP 5.15, HBA 9, HBD 2, PSA 103.19, QED 0.27
Compound (SMILES): CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1
InChIKey: VKOVVORYWOMNDQ-UHFFFAOYSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 525.61, ALogP 4.47, HBA 8, HBD 2, PSA 99.53, QED 0.33
Compound (SMILES): CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1
InChIKey: QEJIJSKOYQRYLB-UHFFFAOYSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 527.58, ALogP 4.27, HBA 9, HBD 2, PSA 108.76, QED 0.33
Compound (SMILES): CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1
InChIKey: UZSWJTMMJHUNNT-OAQYLSRUSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 5500 nM (pChEMBL 5.260000228881836)
Descriptors: MW 513.55, ALogP 3.88, HBA 9, HBD 2, PSA 108.76, QED 0.37
Compound (SMILES): CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1
InChIKey: UZSWJTMMJHUNNT-NRFANRHFSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 513.55, ALogP 3.88, HBA 9, HBD 2, PSA 108.76, QED 0.37
Compound (SMILES): O=C(NCC1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2
InChIKey: RIUCUNLGSJIFLP-UHFFFAOYSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 390 nM (pChEMBL 6.409999847412109)
Descriptors: MW 529, ALogP 4.91, HBA 7, HBD 2, PSA 94.6, QED 0.33
Compound (SMILES): O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2CCOCC2)cnc1NCc1ccc2c(c1)OCO2
InChIKey: NYFFIGAXHHVRRJ-FQEVSTJZSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 504.54, ALogP 2.83, HBA 9, HBD 2, PSA 103.41, QED 0.5
Compound (SMILES): C[C@@H]1CN(c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)C[C@H](C)O1
InChIKey: OEUQIBVXXPHYPJ-ROKPMTFOSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 530.63, ALogP 3.81, HBA 8, HBD 2, PSA 94.18, QED 0.48
Compound (SMILES): O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2C[C@H]3CC[C@@H](C2)O3)cnc1NCc1ccc2c(c1)OCO2
InChIKey: BILKSVCFTGINAF-BDTNDASRSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 560 nM (pChEMBL 6.25)
Descriptors: MW 530.58, ALogP 3.36, HBA 9, HBD 2, PSA 103.41, QED 0.48
Compound (SMILES): CC(=O)N1CC=C(c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)CC1
InChIKey: HEXRINPHTNWMBV-QHCPKHFHSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 542.59, ALogP 3.63, HBA 8, HBD 2, PSA 111.25, QED 0.47
Compound (SMILES): CC(=O)N1[C@@H]2CC[C@H]1C=C(c1cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c1)C2
InChIKey: UZJCBPUZLIMFRR-VJGNERBWSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 566.66, ALogP 4.37, HBA 7, HBD 2, PSA 102.02, QED 0.44
Compound (SMILES): CC(C)N1[C@@H]2CC[C@H]1C=C(c1cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c1)C2
InChIKey: KEOZUNFWVFOURD-IARZGTGTSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O08725
Assay: Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
Measurement: IC50 = 4.1 nM (pChEMBL 8.390000343322754)
Descriptors: MW 566.7, ALogP 5.23, HBA 7, HBD 2, PSA 84.95, QED 0.39
Compound (SMILES): COc1cc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc(-n2nnnc2C)c1
InChIKey: YVROVJDTIQYIIT-UHFFFAOYSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 469.57, ALogP 3.72, HBA 10, HBD 2, PSA 105.91, QED 0.56
Compound (SMILES): COc1cc(Nc2ncc(F)c(NCC3CC(C)(C)N(C)C(C)(C)C3)n2)cc(-n2nnnc2C)c1
InChIKey: WZHYKOZXHPTUKY-UHFFFAOYSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 483.6, ALogP 3.96, HBA 10, HBD 2, PSA 105.91, QED 0.52
Compound (SMILES): COc1cc(Nc2ncc(F)c(NCC3CCN(C)CC3)n2)cc(-n2nnnc2C)c1
InChIKey: VUOXSNHBJYLQOK-UHFFFAOYSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 0.68 nM (pChEMBL 9.170000076293945)
Descriptors: MW 427.49, ALogP 2.41, HBA 10, HBD 2, PSA 105.91, QED 0.59
Compound (SMILES): COc1cc(Nc2ncc(F)c(NC[C@H]3CCCN(C)C3)n2)cc(-n2nnnc2C)c1
InChIKey: AXEBDXBJWRVDAP-CQSZACIVSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 427.49, ALogP 2.41, HBA 10, HBD 2, PSA 105.91, QED 0.59
Compound (SMILES): COc1cc(Nc2ncc(F)c(NC[C@@H]3CCCN(C)C3)n2)cc(-n2nnnc2C)c1
InChIKey: AXEBDXBJWRVDAP-AWEZNQCLSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 0.32 nM (pChEMBL 9.489999771118164)
Descriptors: MW 427.49, ALogP 2.41, HBA 10, HBD 2, PSA 105.91, QED 0.59
Compound (SMILES): CCN1CCC[C@@H](CNc2nc(Nc3cc(OC)cc(-n4nnnc4C)c3)ncc2F)C1
InChIKey: WBILJKBZQXKBJZ-HNNXBMFYSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 0.14 nM (pChEMBL 9.850000381469727)
Descriptors: MW 441.52, ALogP 2.8, HBA 10, HBD 2, PSA 105.91, QED 0.55
Compound (SMILES): COCCN1CCC[C@@H](CNc2nc(Nc3cc(OC)cc(-n4nnnc4C)c3)ncc2F)C1
InChIKey: YOVMQMKZJOUUPB-INIZCTEOSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 0.46 nM (pChEMBL 9.34000015258789)
Descriptors: MW 471.54, ALogP 2.42, HBA 11, HBD 2, PSA 115.14, QED 0.46
Compound (SMILES): COc1cc(Nc2ncc(F)c(NC[C@@H]3CCCN(CC(F)F)C3)n2)cc(-n2nnnc2C)c1
InChIKey: ULNUKRSRECXYBB-AWEZNQCLSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 477.5, ALogP 3.04, HBA 10, HBD 2, PSA 105.91, QED 0.48
Compound (SMILES): COc1cc(Nc2ncc(F)c(NC[C@@H]3CCCN(CC(F)(F)F)C3)n2)cc(-n2nnnc2C)c1
InChIKey: QEJPCNDDGSJQJP-AWEZNQCLSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 > 100 nM (pChEMBL 7)
Descriptors: MW 495.49, ALogP 3.34, HBA 10, HBD 2, PSA 105.91, QED 0.46
Compound (SMILES): Cc1nnnn1-c1cccc(Nc2ncc(F)c(NC[C@@H]3CCCN(C)C3)n2)c1
InChIKey: OAYIVKBVDXKQRP-AWEZNQCLSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 397.46, ALogP 2.4, HBA 9, HBD 2, PSA 96.68, QED 0.65
Compound (SMILES): CN1CCC[C@@H](CNc2nc(Nc3cccc(-n4ccnn4)c3)ncc2F)C1
InChIKey: QQBZNBALCLNTHQ-AWEZNQCLSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 382.45, ALogP 2.69, HBA 8, HBD 2, PSA 83.79, QED 0.68
Compound (SMILES): CN1CCC[C@@H](CNc2nc(Nc3cccc(-c4cnco4)c3)ncc2F)C1
InChIKey: ZIRISSYSCWJEGP-AWEZNQCLSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 382.44, ALogP 3.77, HBA 7, HBD 2, PSA 79.11, QED 0.67
Compound (SMILES): CN1CCC[C@@H](CNc2nc(Nc3cccc(-n4cccn4)c3)ncc2F)C1
InChIKey: KWWYSOYGQIJJNX-HNNXBMFYSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 381.46, ALogP 3.3, HBA 7, HBD 2, PSA 70.9, QED 0.68
Compound (SMILES): Cc1cnn(-c2cccc(Nc3ncc(F)c(NC[C@@H]4CCCN(C)C4)n3)c2)c1
InChIKey: XHTFKFQFEADGGR-INIZCTEOSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 395.49, ALogP 3.61, HBA 7, HBD 2, PSA 70.9, QED 0.66
Compound (SMILES): CN1CCC[C@@H](CNc2nc(Nc3cccc(-n4cc(Cl)cn4)c3)ncc2F)C1
InChIKey: CNVNPWMWESGEBE-AWEZNQCLSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 415.9, ALogP 3.95, HBA 7, HBD 2, PSA 70.9, QED 0.63
Compound (SMILES): O=C(Nc1ccc(-c2cccnc2)cc1)Nc1cc(Br)cc(C(F)(F)F)c1
InChIKey: RZJVXSBEHJHQTC-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 = 0.36 nM (pChEMBL 9.4399995803833)
Descriptors: MW 436.23, ALogP 6.17, HBA 2, HBD 2, PSA 54.02, QED 0.52
Compound (SMILES): O=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(Br)cc1OC(F)(F)F
InChIKey: MCYHSQUZWUNKPR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 > 200 nM (pChEMBL 6.698999881744385)
Descriptors: MW 452.23, ALogP 6.05, HBA 3, HBD 2, PSA 63.25, QED 0.51
Compound (SMILES): O=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(OC(F)(F)F)cc1Br
InChIKey: BMJGZHGNWCLOKM-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 = 4.6 nM (pChEMBL 8.34000015258789)
Descriptors: MW 452.23, ALogP 6.05, HBA 3, HBD 2, PSA 63.25, QED 0.51
Compound (SMILES): O=C(Nc1ccc(-c2cccnc2)cc1)Nc1cc(Br)ccc1OC(F)(F)F
InChIKey: PPXGMDGUQGHNEP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 = 63.08 nM (pChEMBL 7.199999809265137)
Descriptors: MW 452.23, ALogP 6.05, HBA 3, HBD 2, PSA 63.25, QED 0.51
Compound (SMILES): O=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(Cl)cc1Cl
InChIKey: QFHDNNANVIVPJU-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 > 200 nM (pChEMBL 6.698999881744385)
Descriptors: MW 358.23, ALogP 5.7, HBA 2, HBD 2, PSA 54.02, QED 0.63
Compound (SMILES): O=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIKey: FUWGAABFLXHHHW-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 = 2.19 nM (pChEMBL 8.65999984741211)
Descriptors: MW 358.23, ALogP 5.7, HBA 2, HBD 2, PSA 54.02, QED 0.63
Compound (SMILES): O=C(Nc1ccc(-c2cccnc2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: PZMPDTLWORZRBQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 = 0.22 nM (pChEMBL 9.65999984741211)
Descriptors: MW 425.33, ALogP 6.43, HBA 2, HBD 2, PSA 54.02, QED 0.48
Compound (SMILES): CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cc(Br)cc(C(F)(F)F)c3)cc2)cn1
InChIKey: KVPIUBQBJWWWLO-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 = 722.38 nM (pChEMBL 6.139999866485596)
Descriptors: MW 535.36, ALogP 7.16, HBA 3, HBD 3, PSA 83.12, QED 0.33
Compound (SMILES): CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3Br)cc2)cn1
InChIKey: FNRHTZFNMVBJOM-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 551.36, ALogP 7.04, HBA 4, HBD 3, PSA 92.35, QED 0.32
Compound (SMILES): CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cc(Br)ccc3OC(F)(F)F)cc2)cn1
InChIKey: ZIZFGHOBFKUXPR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 551.36, ALogP 7.04, HBA 4, HBD 3, PSA 92.35, QED 0.32
Compound (SMILES): CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)cn1
InChIKey: SLUBULUGENXJII-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 457.36, ALogP 6.68, HBA 3, HBD 3, PSA 83.12, QED 0.41
Compound (SMILES): CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cn1
InChIKey: XXTIOFRZVKLGHD-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 = 13.26 nM (pChEMBL 7.880000114440918)
Descriptors: MW 457.36, ALogP 6.68, HBA 3, HBD 3, PSA 83.12, QED 0.41
Compound (SMILES): CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cn1
InChIKey: QBDJFVUTUGUABP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 524.47, ALogP 7.41, HBA 3, HBD 3, PSA 83.12, QED 0.31
Compound (SMILES): CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(OCCN4CCCCC4)c(F)c3)cc2)cn1
InChIKey: NBWSYMFQBCGBDR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 533.65, ALogP 6.38, HBA 5, HBD 3, PSA 95.59, QED 0.31