Compile Data Set for Download or QSAR

Found 745 hits with Last Name = 'winkler' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50154364 ((6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10...) Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1CO Show InChI InChI=1S/C16H18INOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50154366 (CHEMBL183470 | [2-(2-Dimethylaminomethyl-phenoxy)-...) Show SMILES CN(C)Cc1ccccc1Oc1ccc(I)cc1CO Show InChI InChI=1S/C16H18INO2/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50099646 (5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...) Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6| Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PDBU from protein kinase C-alpha				Bioorg Med Chem Lett 3: 577-580 (1993) Article DOI: 10.1016/S0960-894X(01)81232-4 BindingDB Entry DOI: 10.7270/Q2TT4QVR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50154365 (2-(2-((dimethylamino)methyl)phenoxy)-5-iodoaniline...) Show SMILES CN(C)Cc1ccccc1Oc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50281601 (13-butylcarbonyloxy-1,6-dihydroxy-8-hydroxymethyl-...) Show SMILES CCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCC |c:24,t:13| Show InChI InChI=1S/C30H44O8/c1-7-9-11-22(32)37-26-18(4)29(36)20(24-27(5,6)30(24,26)38-23(33)12-10-8-2)14-19(16-31)15-28(35)21(29)13-17(3)25(28)34/h13-14,18,20-21,24,26,31,35-36H,7-12,15-16H2,1-6H3/t18-,20+,21-,24?,26-,28-,29-,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PDBU from protein kinase C-alpha				Bioorg Med Chem Lett 3: 577-580 (1993) Article DOI: 10.1016/S0960-894X(01)81232-4 BindingDB Entry DOI: 10.7270/Q2TT4QVR
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17468 (1,2,3-triazole analogue, 24 | 5-(3,4-dibromophenyl...) Show SMILES Brc1ccc(cc1Br)-c1c[nH]nn1 Show InChI InChI=1S/C8H5Br2N3/c9-6-2-1-5(3-7(6)10)8-4-11-13-12-8/h1-4H,(H,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17461 (1,2,3-triazole analogue, 17 | 5-(4-iodophenyl)-1H-...) Show SMILES Ic1ccc(cc1)-c1c[nH]nn1 Show InChI InChI=1S/C8H6IN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50091097 (3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10323 ((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17474 (1,2,3-triazole analogue, 30 | 4-methyl-2-(1H-1,2,3...) Show SMILES Cc1ccnc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C8H8N4/c1-6-2-3-9-7(4-6)8-5-10-12-11-8/h2-5H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17460 (1,2,3-triazole analogue, 16 | 5-(4-bromophenyl)-1H...) Show SMILES Brc1ccc(cc1)-c1c[nH]nn1 Show InChI InChI=1S/C8H6BrN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17467 (1,2,3-triazole analogue, 23 | 5-(3-bromophenyl)-1H...) Show SMILES Brc1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C8H6BrN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17473 (1,2,3-triazole analogue, 29 | 3-methyl-2-(1H-1,2,3...) Show SMILES Cc1cccnc1-c1c[nH]nn1 Show InChI InChI=1S/C8H8N4/c1-6-3-2-4-9-8(6)7-5-10-12-11-7/h2-5H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10323 ((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17459 (1,2,3-triazole analogue, 15 | 5-(4-chlorophenyl)-1...) Show SMILES Clc1ccc(cc1)-c1c[nH]nn1 Show InChI InChI=1S/C8H6ClN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	6	-46.5	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM220118 (US9271961, EM1404) Show SMILES C[C@@]12CCC3C(CCc4cc(ccc34)C(N)=O)C1CC[C@@]21CCC(C)(C)C(=O)O1 |r| Show InChI InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18?,19?,20?,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17475 (1,2,3-triazole analogue, 31 | 5-methyl-2-(1H-1,2,3...) Show SMILES Cc1ccc(nc1)-c1c[nH]nn1 Show InChI InChI=1S/C8H8N4/c1-6-2-3-7(9-4-6)8-5-10-12-11-8/h2-5H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	8	-45.7	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50154364 ((6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10...) Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17469 (1,2,3-triazole analogue, 25 | 5-(1-benzofuran-2-yl...) Show SMILES c1[nH]nnc1-c1cc2ccccc2o1 Show InChI InChI=1S/C10H7N3O/c1-2-4-9-7(3-1)5-10(14-9)8-6-11-13-12-8/h1-6H,(H,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	-44.6	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10318 ((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17447 (1,2,3-triazole analogue, 3 | 5-(4-methylphenyl)-1H...) Show SMILES Cc1ccc(cc1)-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-2-4-8(5-3-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17466 (1,2,3-triazole analogue, 22 | 5-(3-iodophenyl)-1H-...) Show SMILES Ic1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C8H6IN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	-44.0	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50154367 (2-(2-Dimethylaminomethyl-benzyl)-5-iodo-phenylamin...) Show SMILES CN(C)Cc1ccccc1Cc1ccc(I)cc1N Show InChI InChI=1S/C16H19IN2/c1-19(2)11-14-6-4-3-5-12(14)9-13-7-8-15(17)10-16(13)18/h3-8,10H,9,11,18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17462 (1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...) Show SMILES Cc1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	18	-43.8	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-3 (Homo sapiens (Human))	BDBM10315 ((S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50154366 (CHEMBL183470 | [2-(2-Dimethylaminomethyl-phenoxy)-...) Show SMILES CN(C)Cc1ccccc1Oc1ccc(I)cc1CO Show InChI InChI=1S/C16H18INO2/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17465 (1,2,3-triazole analogue, 21 | N-benzyl-3-(1H-1,2,3...) Show SMILES C(Nc1cccc(c1)-c1c[nH]nn1)c1ccccc1 Show InChI InChI=1S/C15H14N4/c1-2-5-12(6-3-1)10-16-14-8-4-7-13(9-14)15-11-17-19-18-15/h1-9,11,16H,10H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	-42.6	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17455 (1,2,3-triazole analogue, 11 | 5-(4-ethylphenyl)-1H...) Show SMILES CCc1ccc(cc1)-c1c[nH]nn1 Show InChI InChI=1S/C10H11N3/c1-2-8-3-5-9(6-4-8)10-7-11-13-12-10/h3-7H,2H2,1H3,(H,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17470 (1,2,3-triazole analogue, 26 | 2-(1H-1,2,3-triazol-...) Show SMILES c1[nH]nnc1-c1ccccn1 Show InChI InChI=1S/C7H6N4/c1-2-4-8-6(3-1)7-5-9-11-10-7/h1-5H,(H,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	41	-41.7	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10318 ((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10315 ((S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50154367 (2-(2-Dimethylaminomethyl-benzyl)-5-iodo-phenylamin...) Show SMILES CN(C)Cc1ccccc1Cc1ccc(I)cc1N Show InChI InChI=1S/C16H19IN2/c1-19(2)11-14-6-4-3-5-12(14)9-13-7-8-15(17)10-16(13)18/h3-8,10H,9,11,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	48.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17449 (1,2,3-triazole analogue, 5 | 1H,4H-indeno[1,2-d][1...) Show SMILES c1c2ccccc2c2n[nH][nH]c12 Show InChI InChI=1S/C9H7N3/c1-2-4-7-6(3-1)5-8-9(7)11-12-10-8/h1-5,10,12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	-41.2	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17476 (1,2,3-triazole analogue, 32 | 2-methyl-6-(1H-1,2,3...) Show SMILES Cc1cccc(n1)-c1c[nH]nn1 Show InChI InChI=1S/C8H8N4/c1-6-3-2-4-7(10-6)8-5-9-12-11-8/h2-5H,1H3,(H,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	52	-41.2	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10305 ((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	60	-41.9	120	n/a	n/a	n/a	n/a	7.5	30
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17448 (1,2,3-triazole analogue, 4 | 5-phenyl-1H-1,2,3-tri...) Show SMILES c1[nH]nnc1-c1ccccc1 Show InChI InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	70	-40.4	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17452 (1,2,3-triazole analogue, 8 | 5-(2-methylphenyl)-1H...) Show SMILES Cc1ccccc1-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-4-2-3-5-8(7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	112	-39.3	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50154364 ((6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10...) Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for dopamine transporter expressed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM10323 ((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10298 (1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione |...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O Show InChI InChI=1S/C15H10N2O4/c18-14-12-8-11(17(20)21)6-7-13(12)16(15(14)19)9-10-4-2-1-3-5-10/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	130	-40.0	250	n/a	n/a	n/a	n/a	7.5	30
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17453 (1,2,3-triazole analogue, 9 | 5-(2-methoxyphenyl)-1...) Show SMILES COc1ccccc1-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3O/c1-13-9-5-3-2-4-7(9)8-6-10-12-11-8/h2-6H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	150	-38.6	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50281600 (7-hydroxymethyl-14-oxo-4-phenylcarbonyloxytricyclo...) Show SMILES OCC1=C[C@H]2CCCCC3(CC[C@H](OC(=O)c4ccccc4)[C@H]3C1)C2=O |t:2| Show InChI InChI=1S/C22H26O4/c23-14-15-12-17-8-4-5-10-22(20(17)24)11-9-19(18(22)13-15)26-21(25)16-6-2-1-3-7-16/h1-3,6-7,12,17-19,23H,4-5,8-11,13-14H2/t17-,18-,19+,22?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PDBU from protein kinase C-alpha				Bioorg Med Chem Lett 3: 577-580 (1993) Article DOI: 10.1016/S0960-894X(01)81232-4 BindingDB Entry DOI: 10.7270/Q2TT4QVR
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10298 (1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione |...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O Show InChI InChI=1S/C15H10N2O4/c18-14-12-8-11(17(20)21)6-7-13(12)16(15(14)19)9-10-4-2-1-3-5-10/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10305 ((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1CO Show InChI InChI=1S/C16H18INOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50281602 (4,5,6-trihydroxy-7-hydroxymethyl-3,11,11,14-tetram...) Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=CC14C3=O)C2(C)C |c:17,t:6| Show InChI InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14?,15+,16-,19?,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PDBU from protein kinase C-alpha				Bioorg Med Chem Lett 3: 577-580 (1993) Article DOI: 10.1016/S0960-894X(01)81232-4 BindingDB Entry DOI: 10.7270/Q2TT4QVR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 745 total )  |  Next  |  Last  >>

Jump to: