Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'just' and Initial = 'm'   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50050776 ((S)-3-{2-[(S)-4-(4-Carbamimidoyl-phenyl)-4-methyl-...) Show SMILES C[C@]1(NC(=O)N(CC(=O)N[C@@H](CC(O)=O)c2ccccc2)C1=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H23N5O5/c1-22(15-9-7-14(8-10-15)19(23)24)20(31)27(21(32)26-22)12-17(28)25-16(11-18(29)30)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H3,23,24)(H,25,28)(H,26,32)(H,29,30)/t16-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of [125I]-fibrinogen binding to isolated GPIIb/IIIa				J Med Chem 39: 2118-22 (1996) Article DOI: 10.1021/jm960210f BindingDB Entry DOI: 10.7270/Q2KW5F4X
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397165 (CHEMBL2172149) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C35H47N7O9/c1-2-3-21-50-35(49)40-19-17-39(18-20-40)34(48)26(14-15-31(44)45)37-32(46)27-22-30(42(38-27)25-11-5-4-6-12-25)51-23-29(43)41-16-8-13-28(41)33(47)36-24-9-7-10-24/h4-6,11-12,22,24,26,28H,2-3,7-10,13-21,23H2,1H3,(H,36,47)(H,37,46)(H,44,45)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397156 (CHEMBL2172129) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C35H47N11O7/c1-2-3-21-52-35(51)44-19-17-43(18-20-44)34(50)26(14-15-29-38-41-42-39-29)37-32(48)27-22-31(46(40-27)25-11-5-4-6-12-25)53-23-30(47)45-16-8-13-28(45)33(49)36-24-9-7-10-24/h4-6,11-12,22,24,26,28H,2-3,7-10,13-21,23H2,1H3,(H,36,49)(H,37,48)(H,38,39,41,42)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397166 (CHEMBL2172148) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-2-20-49-34(48)39-18-16-38(17-19-39)33(47)25(13-14-30(43)44)36-31(45)26-21-29(41(37-26)24-10-4-3-5-11-24)50-22-28(42)40-15-7-12-27(40)32(46)35-23-8-6-9-23/h3-5,10-11,21,23,25,27H,2,6-9,12-20,22H2,1H3,(H,35,46)(H,36,45)(H,43,44)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397164 (CHEMBL2172150) Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OC1CCC1 |r| Show InChI InChI=1S/C35H45N7O9/c43-29(41-16-6-13-28(41)33(47)36-23-7-4-8-23)22-50-30-21-27(38-42(30)24-9-2-1-3-10-24)32(46)37-26(14-15-31(44)45)34(48)39-17-19-40(20-18-39)35(49)51-25-11-5-12-25/h1-3,9-10,21,23,25-26,28H,4-8,11-20,22H2,(H,36,47)(H,37,46)(H,44,45)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397157 (CHEMBL2172128) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H43N11O7/c1-2-50-33(49)42-18-16-41(17-19-42)32(48)24(13-14-27-36-39-40-37-27)35-30(46)25-20-29(44(38-25)23-10-4-3-5-11-23)51-21-28(45)43-15-7-12-26(43)31(47)34-22-8-6-9-22/h3-5,10-11,20,22,24,26H,2,6-9,12-19,21H2,1H3,(H,34,47)(H,35,46)(H,36,37,39,40)/t24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397168 (CHEMBL2172146) Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H45N7O9/c46-32(44-18-8-15-31(44)36(50)39-27-11-7-12-27)25-53-33-23-30(41-45(33)28-13-5-2-6-14-28)35(49)40-29(16-17-34(47)48)37(51)42-19-21-43(22-20-42)38(52)54-24-26-9-3-1-4-10-26/h1-6,9-10,13-14,23,27,29,31H,7-8,11-12,15-22,24-25H2,(H,39,50)(H,40,49)(H,47,48)/t29-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397152 (CHEMBL2172133) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C35H49N7O8/c1-2-3-22-49-35(48)40-19-17-39(18-20-40)34(47)27(14-9-21-43)37-32(45)28-23-31(42(38-28)26-12-5-4-6-13-26)50-24-30(44)41-16-8-15-29(41)33(46)36-25-10-7-11-25/h4-6,12-13,23,25,27,29,43H,2-3,7-11,14-22,24H2,1H3,(H,36,46)(H,37,45)/t27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397144 (CHEMBL2172272) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H43N7O9/c1-2-48-33(47)38-18-16-37(17-19-38)32(46)24(13-14-29(42)43)35-30(44)25-20-28(40(36-25)23-10-4-3-5-11-23)49-21-27(41)39-15-7-12-26(39)31(45)34-22-8-6-9-22/h3-5,10-11,20,22,24,26H,2,6-9,12-19,21H2,1H3,(H,34,45)(H,35,44)(H,42,43)/t24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397143 (CHEMBL2172140) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H43N7O7/c1-2-3-19-45-32(44)37-17-15-36(16-18-37)27(40)21-33-30(42)25-20-29(39(35-25)24-11-5-4-6-12-24)46-22-28(41)38-14-8-13-26(38)31(43)34-23-9-7-10-23/h4-6,11-12,20,23,26H,2-3,7-10,13-19,21-22H2,1H3,(H,33,42)(H,34,43)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397163 (CHEMBL2172151) Show SMILES CCOC(=O)N1CCN([C@H](C)C1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)38-17-18-39(22(2)20-38)33(47)25(14-15-30(43)44)36-31(45)26-19-29(41(37-26)24-11-5-4-6-12-24)50-21-28(42)40-16-8-13-27(40)32(46)35-23-9-7-10-23/h4-6,11-12,19,22-23,25,27H,3,7-10,13-18,20-21H2,1-2H3,(H,35,46)(H,36,45)(H,43,44)/t22-,25+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50050776 ((S)-3-{2-[(S)-4-(4-Carbamimidoyl-phenyl)-4-methyl-...) Show SMILES C[C@]1(NC(=O)N(CC(=O)N[C@@H](CC(O)=O)c2ccccc2)C1=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H23N5O5/c1-22(15-9-7-14(8-10-15)19(23)24)20(31)27(21(32)26-22)12-17(28)25-16(11-18(29)30)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H3,23,24)(H,25,28)(H,26,32)(H,29,30)/t16-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of [125I]-fibrinogen binding to ADP-activated human gel filtered platelets				J Med Chem 39: 2118-22 (1996) Article DOI: 10.1021/jm960210f BindingDB Entry DOI: 10.7270/Q2KW5F4X
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397205 (AR-C126532XX | AZD-6140 | AZD6140 | BRILINTA | TIC...) Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397183 (CHEMBL2172156) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NCC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-2-49-34(48)39-18-16-38(17-19-39)33(47)25(13-14-30(43)44)36-31(45)26-20-29(41(37-26)24-10-4-3-5-11-24)50-22-28(42)40-15-7-12-27(40)32(46)35-21-23-8-6-9-23/h3-5,10-11,20,23,25,27H,2,6-9,12-19,21-22H2,1H3,(H,35,46)(H,36,45)(H,43,44)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397185 (CHEMBL2172273) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-2-49-34(48)39-19-17-38(18-20-39)33(47)25(14-15-30(43)44)36-31(45)26-21-29(41(37-26)24-11-4-3-5-12-24)50-22-28(42)40-16-8-13-27(40)32(46)35-23-9-6-7-10-23/h3-5,11-12,21,23,25,27H,2,6-10,13-20,22H2,1H3,(H,35,46)(H,36,45)(H,43,44)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397174 (CHEMBL2172165) Show SMILES CCCCOC(=O)NC1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C36H49N7O9/c1-2-3-21-51-36(50)38-25-16-19-41(20-17-25)35(49)27(14-15-32(45)46)39-33(47)28-22-31(43(40-28)26-11-5-4-6-12-26)52-23-30(44)42-18-8-13-29(42)34(48)37-24-9-7-10-24/h4-6,11-12,22,24-25,27,29H,2-3,7-10,13-21,23H2,1H3,(H,37,48)(H,38,50)(H,39,47)(H,45,46)/t27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397158 (CHEMBL2172127) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCNS(C)(=O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H46N8O9S/c1-3-49-33(46)39-19-17-38(18-20-39)32(45)25(14-15-34-51(2,47)48)36-30(43)26-21-29(41(37-26)24-11-5-4-6-12-24)50-22-28(42)40-16-8-13-27(40)31(44)35-23-9-7-10-23/h4-6,11-12,21,23,25,27,34H,3,7-10,13-20,22H2,1-2H3,(H,35,44)(H,36,43)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397153 (CHEMBL2172132) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H43N7O8/c1-2-46-32(45)37-17-15-36(16-18-37)31(44)24(13-19-40)34-29(42)25-20-28(39(35-25)23-10-4-3-5-11-23)47-21-27(41)38-14-7-12-26(38)30(43)33-22-8-6-9-22/h3-5,10-11,20,22,24,26,40H,2,6-9,12-19,21H2,1H3,(H,33,43)(H,34,42)/t24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13122 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC(C)C)C(=O)NO |r| Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397204 (ELINOGREL) Show SMILES CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F Show InChI InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397184 (CHEMBL2172274) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)N(C)C2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)39-19-17-38(18-20-39)32(46)25(14-15-30(43)44)35-31(45)26-21-29(41(36-26)24-9-5-4-6-10-24)50-22-28(42)40-16-8-13-27(40)33(47)37(2)23-11-7-12-23/h4-6,9-10,21,23,25,27H,3,7-8,11-20,22H2,1-2H3,(H,35,45)(H,43,44)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13133 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC(C)(C)C)C(=O)NO |r| Show InChI InChI=1S/C21H28N2O5S/c1-21(2,3)14-19(20(24)22-25)23(15-16-8-6-5-7-9-16)29(26,27)18-12-10-17(28-4)11-13-18/h5-13,19,25H,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13121 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C23H24N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h2-15,22,27H,16-17H2,1H3,(H,24,26)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098711 (CHEMBL17675 | N-(Carboxy-phenyl-methyl)-3-{2-[4-(4...) Show SMILES NC(N)=Nc1ccc(cc1)-c1[nH]c(=O)n(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(O)=O)c2ccccc2)c1O |wU:27.27,wD:19.19,(-3.46,-7.61,;-3.44,-6.07,;-4.76,-5.29,;-2.11,-5.31,;-.78,-6.1,;-.78,-7.66,;.54,-8.43,;1.89,-7.68,;1.89,-6.15,;.58,-5.37,;3.22,-8.47,;3.57,-9.94,;5.1,-10.1,;5.86,-11.43,;5.73,-8.69,;7.06,-7.92,;8.4,-8.66,;8.37,-10.2,;9.72,-7.89,;11.05,-8.66,;11.05,-10.2,;12.38,-10.96,;12.38,-12.5,;13.71,-10.2,;12.38,-7.89,;12.36,-6.34,;13.71,-8.66,;15.04,-7.89,;16.39,-8.62,;17.71,-7.85,;16.36,-10.17,;15.04,-6.3,;13.69,-5.57,;13.69,-4.01,;15.01,-3.22,;16.36,-3.99,;16.36,-5.54,;4.57,-7.66,;4.96,-6.15,)| Show InChI InChI=1S/C24H25N7O8/c25-23(26)27-14-8-6-13(7-9-14)18-21(36)31(24(39)30-18)11-16(32)28-15(10-17(33)34)20(35)29-19(22(37)38)12-4-2-1-3-5-12/h1-9,15,19,36H,10-11H2,(H,28,32)(H,29,35)(H,30,39)(H,33,34)(H,37,38)(H4,25,26,27)/t15-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma AG Curated by ChEMBL					Assay Description Inhibition of 125 I-fibrinogen binding to glycoprotein IIb/IIIa receptor				J Med Chem 44: 1158-76 (2001) BindingDB Entry DOI: 10.7270/Q2BG2N8R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397171 (CHEMBL2172143) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C37H45N7O8/c1-51-28-13-6-12-27(22-28)41-18-20-42(21-19-41)37(50)29(15-16-34(46)47)39-35(48)30-23-33(44(40-30)26-10-3-2-4-11-26)52-24-32(45)43-17-7-14-31(43)36(49)38-25-8-5-9-25/h2-4,6,10-13,22-23,25,29,31H,5,7-9,14-21,24H2,1H3,(H,38,49)(H,39,48)(H,46,47)/t29-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13127 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CCSC)C(=O)NO |r| Show InChI InChI=1S/C19H24N2O5S2/c1-26-16-8-10-17(11-9-16)28(24,25)21(14-15-6-4-3-5-7-15)18(12-13-27-2)19(22)20-23/h3-11,18,23H,12-14H2,1-2H3,(H,20,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397176 (CHEMBL2172163) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2c2ccccc2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H40N6O8/c1-2-47-34(46)38-20-18-37(19-21-38)33(45)26(15-16-31(42)43)35-32(44)27-22-30(40(36-27)25-12-7-4-8-13-25)48-23-29(41)39-17-9-14-28(39)24-10-5-3-6-11-24/h3-8,10-13,22,26,28H,2,9,14-21,23H2,1H3,(H,35,44)(H,42,43)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM13126 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13119 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(=O)NO |r| Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13100 (2-[(2-cyclohexylethyl)(4-methoxybenzene)sulfonamid...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC1CCCCC1)CC(=O)NO Show InChI InChI=1S/C17H26N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(13-17(20)18-21)12-11-14-5-3-2-4-6-14/h7-10,14,21H,2-6,11-13H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13135 ((2R,3S)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-...) Show SMILES CCC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO |r| Show InChI InChI=1S/C20H26N2O5S/c1-4-15(2)19(20(23)21-24)22(14-16-8-6-5-7-9-16)28(25,26)18-12-10-17(27-3)11-13-18/h5-13,15,19,24H,4,14H2,1-3H3,(H,21,23)/t15?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397170 (CHEMBL2172144) Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCC(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C38H44N6O8/c45-32(43-20-8-15-31(43)37(50)39-27-11-7-12-27)24-52-33-23-30(41-44(33)28-13-5-2-6-14-28)36(49)40-29(16-17-34(46)47)38(51)42-21-18-26(19-22-42)35(48)25-9-3-1-4-10-25/h1-6,9-10,13-14,23,26-27,29,31H,7-8,11-12,15-22,24H2,(H,39,50)(H,40,49)(H,46,47)/t29-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397188 (CHEMBL2172269) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H45N7O9/c1-5-48-32(47)38-18-16-37(17-19-38)31(46)23(13-14-28(42)43)34-29(44)24-20-27(40(36-24)22-10-7-6-8-11-22)49-21-26(41)39-15-9-12-25(39)30(45)35-33(2,3)4/h6-8,10-11,20,23,25H,5,9,12-19,21H2,1-4H3,(H,34,44)(H,35,45)(H,42,43)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397182 (CHEMBL2172157) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H41N7O9/c1-2-47-32(46)37-17-15-36(16-18-37)31(45)23(11-12-28(41)42)34-29(43)24-19-27(39(35-24)22-9-4-3-5-10-22)48-20-26(40)38-14-13-25(38)30(44)33-21-7-6-8-21/h3-5,9-10,19,21,23,25H,2,6-8,11-18,20H2,1H3,(H,33,44)(H,34,43)(H,41,42)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397154 (CHEMBL2172131) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCNC(C)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H46N8O8/c1-3-49-34(48)40-19-17-39(18-20-40)33(47)26(14-15-35-23(2)43)37-31(45)27-21-30(42(38-27)25-11-5-4-6-12-25)50-22-29(44)41-16-8-13-28(41)32(46)36-24-9-7-10-24/h4-6,11-12,21,24,26,28H,3,7-10,13-20,22H2,1-2H3,(H,35,43)(H,36,46)(H,37,45)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13141 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](CC(C)(C)C)C(=O)NO |r| Show InChI InChI=1S/C20H27N3O5S/c1-20(2,3)12-18(19(24)22-25)23(14-15-6-5-11-21-13-15)29(26,27)17-9-7-16(28-4)8-10-17/h5-11,13,18,25H,12,14H2,1-4H3,(H,22,24)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13134 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-3-cyc...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC1CCCCC1)C(=O)NO |r| Show InChI InChI=1S/C23H30N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h3,6-7,10-15,18,22,27H,2,4-5,8-9,16-17H2,1H3,(H,24,26)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13137 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](CC(C)C)C(=O)NO |r| Show InChI InChI=1S/C19H25N3O5S/c1-14(2)11-18(19(23)21-24)22(13-15-5-4-10-20-12-15)28(25,26)17-8-6-16(27-3)7-9-17/h4-10,12,14,18,24H,11,13H2,1-3H3,(H,21,23)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397159 (CHEMBL2172155) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CNS(C)(=O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H44N8O9S/c1-3-48-32(45)38-17-15-37(16-18-38)31(44)25(20-33-50(2,46)47)35-29(42)24-19-28(40(36-24)23-11-5-4-6-12-23)49-21-27(41)39-14-8-13-26(39)30(43)34-22-9-7-10-22/h4-6,11-12,19,22,25-26,33H,3,7-10,13-18,20-21H2,1-2H3,(H,34,43)(H,35,42)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13131 ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-3-(te...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](COC(C)(C)C)C(=O)NO |r| Show InChI InChI=1S/C21H28N2O6S/c1-21(2,3)29-15-19(20(24)22-25)23(14-16-8-6-5-7-9-16)30(26,27)18-12-10-17(28-4)11-13-18/h5-13,19,25H,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM13136 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CCN1CCOCC1)C(=O)NO Show InChI InChI=1S/C22H29N3O6S/c1-30-19-7-9-20(10-8-19)32(28,29)25(17-18-5-3-2-4-6-18)21(22(26)23-27)11-12-24-13-15-31-16-14-24/h2-10,21,27H,11-17H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...				J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397160 (CHEMBL2172154) Show SMILES CCOC(=O)N1CCN(C[C@H]1C)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)39-18-17-38(20-22(39)2)33(47)25(14-15-30(43)44)36-31(45)26-19-29(41(37-26)24-11-5-4-6-12-24)50-21-28(42)40-16-8-13-27(40)32(46)35-23-9-7-10-23/h4-6,11-12,19,22-23,25,27H,3,7-10,13-18,20-21H2,1-2H3,(H,35,46)(H,36,45)(H,43,44)/t22-,25+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397162 (CHEMBL2172152) Show SMILES CCOC(=O)N1CCN([C@@H](C)C1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)38-17-18-39(22(2)20-38)33(47)25(14-15-30(43)44)36-31(45)26-19-29(41(37-26)24-11-5-4-6-12-24)50-21-28(42)40-16-8-13-27(40)32(46)35-23-9-7-10-23/h4-6,11-12,19,22-23,25,27H,3,7-10,13-18,20-21H2,1-2H3,(H,35,46)(H,36,45)(H,43,44)/t22-,25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397178 (CHEMBL2172161) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C34H45N7O9/c1-2-49-34(48)39-20-18-38(19-21-39)32(46)25(13-14-30(43)44)35-31(45)26-22-29(41(36-26)24-10-5-3-6-11-24)50-23-28(42)40-17-9-12-27(40)33(47)37-15-7-4-8-16-37/h3,5-6,10-11,22,25,27H,2,4,7-9,12-21,23H2,1H3,(H,35,45)(H,43,44)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397177 (CHEMBL2172162) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2c2ncc(C)[nH]2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H40N8O8/c1-3-47-32(46)38-16-14-37(15-17-38)31(45)23(11-12-28(42)43)35-30(44)24-18-27(40(36-24)22-8-5-4-6-9-22)48-20-26(41)39-13-7-10-25(39)29-33-19-21(2)34-29/h4-6,8-9,18-19,23,25H,3,7,10-17,20H2,1-2H3,(H,33,34)(H,35,44)(H,42,43)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50397189 (CHEMBL2172268) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC(C)C)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H43N7O9/c1-4-47-32(46)37-17-15-36(16-18-37)31(45)23(12-13-28(41)42)34-29(43)24-19-27(39(35-24)22-9-6-5-7-10-22)48-20-26(40)38-14-8-11-25(38)30(44)33-21(2)3/h5-7,9-10,19,21,23,25H,4,8,11-18,20H2,1-3H3,(H,33,44)(H,34,43)(H,41,42)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method				J Med Chem 55: 8615-29 (2012) Article DOI: 10.1021/jm300771j BindingDB Entry DOI: 10.7270/Q2D50P3P
					More data for this Ligand-Target Pair

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