Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'gammill' and Initial = 'rb'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM554 (5-cyano-N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-ph...) Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33N3O5S/c1-3-16-31(17-15-22-9-6-5-7-10-22)19-27(35)29(30(36)39-31)26(4-2)24-11-8-12-25(18-24)34-40(37,38)28-14-13-23(20-32)21-33-28/h5-14,18,21,26,29,34H,3-4,15-17,19H2,1-2H3/t26-,29?,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00700	-63.0	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM558 (N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,28,36H,3-4,15-17,19H2,1-2H3/t25-,28?,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.00800	-62.7	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM557 (N-{3-[(1R)-1-[(6S)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,28,36H,3-4,15-17,19H2,1-2H3/t25-,28?,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0180	-60.7	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM560 (N-{3-[(1S)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,28,36H,3-4,15-17,19H2,1-2H3/t25-,28?,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0320	-59.3	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM553 (5-cyano-N-{3-[(1R)-1-[(6S)-4-hydroxy-2-oxo-6-(2-ph...) Show SMILES CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33N3O5S/c1-3-16-31(17-15-22-9-6-5-7-10-22)19-27(35)29(30(36)39-31)26(4-2)24-11-8-12-25(18-24)34-40(37,38)28-14-13-23(20-32)21-33-28/h5-14,18,21,26,29,34H,3-4,15-17,19H2,1-2H3/t26-,29?,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0400	-58.8	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM550 (N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 |r| Show InChI InChI=1S/C29H35N3O5S/c1-4-15-29(16-14-21-10-7-6-8-11-21)18-25(33)27(28(34)37-29)24(5-2)22-12-9-13-23(17-22)31-38(35,36)26-19-32(3)20-30-26/h6-13,17,19-20,24,27,31H,4-5,14-16,18H2,1-3H3/t24-,27?,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0600	-57.8	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM556 (5-cyano-N-{3-[(1S)-1-[(6R)-4-hydroxy-2-oxo-6-(2-ph...) Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33N3O5S/c1-3-16-31(17-15-22-9-6-5-7-10-22)19-27(35)29(30(36)39-31)26(4-2)24-11-8-12-25(18-24)34-40(37,38)28-14-13-23(20-32)21-33-28/h5-14,18,21,26,29,34H,3-4,15-17,19H2,1-2H3/t26-,29?,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	-56.5	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM549 (N-{3-[(1R)-1-[(6S)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 |r| Show InChI InChI=1S/C29H35N3O5S/c1-4-15-29(16-14-21-10-7-6-8-11-21)18-25(33)27(28(34)37-29)24(5-2)22-12-9-13-23(17-22)31-38(35,36)26-19-32(3)20-30-26/h6-13,17,19-20,24,27,31H,4-5,14-16,18H2,1-3H3/t24-,27?,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	-56.1	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM555 (5-cyano-N-{3-[(1S)-1-[(6S)-4-hydroxy-2-oxo-6-(2-ph...) Show SMILES CCC[C@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33N3O5S/c1-3-16-31(17-15-22-9-6-5-7-10-22)19-27(35)29(30(36)39-31)26(4-2)24-11-8-12-25(18-24)34-40(37,38)28-14-13-23(20-32)21-33-28/h5-14,18,21,26,29,34H,3-4,15-17,19H2,1-2H3/t26-,29?,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	-56.1	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM559 (N-{3-[(1S)-1-[(6S)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r| Show InChI InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,28,36H,3-4,15-17,19H2,1-2H3/t25-,28?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	-54.6	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM552 (N-{3-[(1S)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 |r| Show InChI InChI=1S/C29H35N3O5S/c1-4-15-29(16-14-21-10-7-6-8-11-21)18-25(33)27(28(34)37-29)24(5-2)22-12-9-13-23(17-22)31-38(35,36)26-19-32(3)20-30-26/h6-13,17,19-20,24,27,31H,4-5,14-16,18H2,1-3H3/t24-,27?,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	-53.8	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM548 (CHEMBL21188 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...) Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 Show InChI InChI=1S/C29H35N3O5S/c1-4-15-29(16-14-21-10-7-6-8-11-21)18-25(33)27(28(34)37-29)24(5-2)22-12-9-13-23(17-22)31-38(35,36)26-19-32(3)20-30-26/h6-13,17,19-20,24,27,31H,4-5,14-16,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM551 (N-{3-[(1S)-1-[(6S)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES CCC[C@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 |r| Show InChI InChI=1S/C29H35N3O5S/c1-4-15-29(16-14-21-10-7-6-8-11-21)18-25(33)27(28(34)37-29)24(5-2)22-12-9-13-23(17-22)31-38(35,36)26-19-32(3)20-30-26/h6-13,17,19-20,24,27,31H,4-5,14-16,18H2,1-3H3/t24-,27?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM547 (CHEMBL20846 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...) Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)C(=O)O1 Show InChI InChI=1S/C34H36N2O5S/c1-3-19-34(20-18-24-11-6-5-7-12-24)23-29(37)31(33(38)41-34)28(4-2)26-14-8-16-27(22-26)36-42(39,40)30-17-9-13-25-15-10-21-35-32(25)30/h5-17,21-22,28,31,36H,3-4,18-20,23H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM546 (4-fluoro-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl...) Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)C(=O)O1 Show InChI InChI=1S/C31H34FNO5S/c1-3-18-31(19-17-22-9-6-5-7-10-22)21-28(34)29(30(35)38-31)27(4-2)23-11-8-12-25(20-23)33-39(36,37)26-15-13-24(32)14-16-26/h5-16,20,27,29,33H,3-4,17-19,21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM545 (4-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...) Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)C(=O)O1 Show InChI InChI=1S/C32H34N2O5S/c1-3-18-32(19-17-23-9-6-5-7-10-23)21-29(35)30(31(36)39-32)28(4-2)25-11-8-12-26(20-25)34-40(37,38)27-15-13-24(22-33)14-16-27/h5-16,20,28,30,34H,3-4,17-19,21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	-45.7	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM544 (N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propy...) Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)O1 Show InChI InChI=1S/C31H35NO5S/c1-3-19-31(20-18-23-12-7-5-8-13-23)22-28(33)29(30(34)37-31)27(4-2)24-14-11-15-25(21-24)32-38(35,36)26-16-9-6-10-17-26/h5-17,21,27,29,32H,3-4,18-20,22H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-43.9	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044210 (7-[2-(4-methylpiperazin-1-yl)ethoxy]-8-methyl-2-mo...) Show SMILES CN1CCN(CCOc2ccc3c(oc(cc3=O)N3CCOCC3)c2C)CC1 Show InChI InChI=1S/C21H29N3O4/c1-16-19(27-14-9-23-7-5-22(2)6-8-23)4-3-17-18(25)15-20(28-21(16)17)24-10-12-26-13-11-24/h3-4,15H,5-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50228475 (CHEMBL90348) Show SMILES COc1c2occc2c(OC)c2c1oc(CN1CCC(CCC3CCN(Cc4cc(=O)c5c(OC)c6ccoc6c(OC)c5o4)CC3)CC1)cc2=O Show InChI InChI=1S/C40H44N2O10/c1-45-33-27-11-17-49-35(27)39(47-3)37-31(33)29(43)19-25(51-37)21-41-13-7-23(8-14-41)5-6-24-9-15-42(16-10-24)22-26-20-30(44)32-34(46-2)28-12-18-50-36(28)40(48-4)38(32)52-26/h11-12,17-20,23-24H,5-10,13-16,21-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase				J Med Chem 33: 2685-7 (1990) BindingDB Entry DOI: 10.7270/Q20867JQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044219 (6,8-Dimethyl-7-[2-(4-methyl-piperazin-1-yl)-ethoxy...) Show SMILES CN1CCN(CCOc2c(C)cc3c(oc(cc3=O)N3CCOCC3)c2C)CC1 Show InChI InChI=1S/C22H31N3O4/c1-16-14-18-19(26)15-20(25-9-11-27-12-10-25)29-22(18)17(2)21(16)28-13-8-24-6-4-23(3)5-7-24/h14-15H,4-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044221 (7-(1-tert-Butyl-1H-tetrazol-5-ylmethoxy)-8-methyl-...) Show SMILES Cc1c(OCc2nnnn2C(C)(C)C)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H25N5O4/c1-13-16(28-12-17-21-22-23-25(17)20(2,3)4)6-5-14-15(26)11-18(29-19(13)14)24-7-9-27-10-8-24/h5-6,11H,7-10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044183 (7-(2-Diethylamino-ethoxy)-8-methyl-2-morpholin-4-y...) Show SMILES CCN(CC)CCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C Show InChI InChI=1S/C20H28N2O4/c1-4-21(5-2)8-13-25-18-7-6-16-17(23)14-19(26-20(16)15(18)3)22-9-11-24-12-10-22/h6-7,14H,4-5,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044209 (8-Methyl-7-(1-methyl-1H-tetrazol-5-ylmethoxy)-2-mo...) Show SMILES Cc1c(OCc2nnnn2C)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C17H19N5O4/c1-11-14(25-10-15-18-19-20-21(15)2)4-3-12-13(23)9-16(26-17(11)12)22-5-7-24-8-6-22/h3-4,9H,5-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044204 (7-(2-Azepan-1-yl-ethoxy)-8-methyl-2-morpholin-4-yl...) Show SMILES Cc1c(OCCN2CCCCCC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H30N2O4/c1-17-20(27-15-10-23-8-4-2-3-5-9-23)7-6-18-19(25)16-21(28-22(17)18)24-11-13-26-14-12-24/h6-7,16H,2-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044194 (7-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-2-morpholin...) Show SMILES CN1CCN(CCOc2ccc3c(oc(cc3=O)N3CCOCC3)c2C=C)CC1 Show InChI InChI=1S/C22H29N3O4/c1-3-17-20(28-15-10-24-8-6-23(2)7-9-24)5-4-18-19(26)16-21(29-22(17)18)25-11-13-27-14-12-25/h3-5,16H,1,6-15H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044213 (8-Ethyl-7-[2-(4-methyl-piperazin-1-yl)-ethoxy]-2-m...) Show SMILES CCc1c(OCCN2CCN(C)CC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H31N3O4/c1-3-17-20(28-15-10-24-8-6-23(2)7-9-24)5-4-18-19(26)16-21(29-22(17)18)25-11-13-27-14-12-25/h4-5,16H,3,6-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044208 (8-Methyl-2-morpholin-4-yl-7-(2-piperazin-1-yl-etho...) Show SMILES Cc1c(OCCN2CCNCC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H27N3O4/c1-15-18(26-13-8-22-6-4-21-5-7-22)3-2-16-17(24)14-19(27-20(15)16)23-9-11-25-12-10-23/h2-3,14,21H,4-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044216 (8-Methyl-2-morpholin-4-yl-7-(2-morpholin-4-yl-etho...) Show SMILES Cc1c(OCCN2CCOCC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H26N2O5/c1-15-18(26-13-6-21-4-9-24-10-5-21)3-2-16-17(23)14-19(27-20(15)16)22-7-11-25-12-8-22/h2-3,14H,4-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044215 (8-Methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-yl-eth...) Show SMILES Cc1c(OCCN2CCCC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H26N2O4/c1-15-18(25-13-8-21-6-2-3-7-21)5-4-16-17(23)14-19(26-20(15)16)22-9-11-24-12-10-22/h4-5,14H,2-3,6-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044188 (8-Methyl-2-morpholin-4-yl-7-(pyridin-3-ylmethoxy)-...) Show SMILES Cc1c(OCc2cccnc2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H20N2O4/c1-14-18(25-13-15-3-2-6-21-12-15)5-4-16-17(23)11-19(26-20(14)16)22-7-9-24-10-8-22/h2-6,11-12H,7-10,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50228476 (CHEMBL92580) Show SMILES COc1c2CCOc2c(OC)c2oc(CN3CCC(CCC4CCN(Cc5cc(=O)c6c(OC)c7CCOc7c(OC)c6o5)CC4)CC3)cc(=O)c12 Show InChI InChI=1S/C40H48N2O10/c1-45-33-27-11-17-49-35(27)39(47-3)37-31(33)29(43)19-25(51-37)21-41-13-7-23(8-14-41)5-6-24-9-15-42(16-10-24)22-26-20-30(44)32-34(46-2)28-12-18-50-36(28)40(48-4)38(32)52-26/h19-20,23-24H,5-18,21-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase				J Med Chem 33: 2685-7 (1990) BindingDB Entry DOI: 10.7270/Q20867JQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044207 (8-Methyl-2-morpholin-4-yl-7-(2-thiomorpholin-4-yl-...) Show SMILES Cc1c(OCCN2CCSCC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H26N2O4S/c1-15-18(25-11-4-21-7-12-27-13-8-21)3-2-16-17(23)14-19(26-20(15)16)22-5-9-24-10-6-22/h2-3,14H,4-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044192 (8-Methyl-2-morpholin-4-yl-7-(2-piperidin-1-yl-etho...) Show SMILES Cc1c(OCCN2CCCCC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C21H28N2O4/c1-16-19(26-14-9-22-7-3-2-4-8-22)6-5-17-18(24)15-20(27-21(16)17)23-10-12-25-13-11-23/h5-6,15H,2-4,7-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50228477 (CHEMBL88725) Show SMILES COc1c2ccoc2c(OC)c2oc(CN3CCC(CCCC4CCN(Cc5cc(=O)c6c(OC)c7ccoc7c(OC)c6o5)CC4)CC3)cc(=O)c12 Show InChI InChI=1S/C41H46N2O10/c1-46-34-28-12-18-50-36(28)40(48-3)38-32(34)30(44)20-26(52-38)22-42-14-8-24(9-15-42)6-5-7-25-10-16-43(17-11-25)23-27-21-31(45)33-35(47-2)29-13-19-51-37(29)41(49-4)39(33)53-27/h12-13,18-21,24-25H,5-11,14-17,22-23H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase				J Med Chem 33: 2685-7 (1990) BindingDB Entry DOI: 10.7270/Q20867JQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044217 (7-(2-Methoxy-ethoxy)-8-methyl-2-morpholin-4-yl-chr...) Show SMILES COCCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C Show InChI InChI=1S/C17H21NO5/c1-12-15(22-10-9-20-2)4-3-13-14(19)11-16(23-17(12)13)18-5-7-21-8-6-18/h3-4,11H,5-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044185 (8-Methyl-2-morpholin-4-yl-7-(1-phenyl-1H-tetrazol-...) Show SMILES Cc1c(OCc2nnnn2-c2ccccc2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H21N5O4/c1-15-19(30-14-20-23-24-25-27(20)16-5-3-2-4-6-16)8-7-17-18(28)13-21(31-22(15)17)26-9-11-29-12-10-26/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044200 (8-Allyl-7-[2-(4-methyl-piperazin-1-yl)-ethoxy]-2-m...) Show SMILES CN1CCN(CCOc2ccc3c(oc(cc3=O)N3CCOCC3)c2CC=C)CC1 Show InChI InChI=1S/C23H31N3O4/c1-3-4-19-21(29-16-11-25-9-7-24(2)8-10-25)6-5-18-20(27)17-22(30-23(18)19)26-12-14-28-15-13-26/h3,5-6,17H,1,4,7-16H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044186 ((8-Methyl-2-morpholin-4-yl-4-oxo-4H-chromen-7-ylox...) Show SMILES COC(=O)COc1ccc2c(oc(cc2=O)N2CCOCC2)c1C Show InChI InChI=1S/C17H19NO6/c1-11-14(23-10-16(20)21-2)4-3-12-13(19)9-15(24-17(11)12)18-5-7-22-8-6-18/h3-4,9H,5-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044193 (7-[2-(4-Benzyl-piperazin-1-yl)-ethoxy]-8-methyl-2-...) Show SMILES Cc1c(OCCN2CCN(Cc3ccccc3)CC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C27H33N3O4/c1-21-25(8-7-23-24(31)19-26(34-27(21)23)30-14-16-32-17-15-30)33-18-13-28-9-11-29(12-10-28)20-22-5-3-2-4-6-22/h2-8,19H,9-18,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044223 (7-{2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-ethoxy}-...) Show SMILES Cc1c(OCCN2CCN(CCO)CC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H31N3O5/c1-17-20(29-15-9-24-6-4-23(5-7-24)8-12-26)3-2-18-19(27)16-21(30-22(17)18)25-10-13-28-14-11-25/h2-3,16,26H,4-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044184 (7-(1-Cyclohexyl-1H-tetrazol-5-ylmethoxy)-8-methyl-...) Show SMILES Cc1c(OCc2nnnn2C2CCCCC2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H27N5O4/c1-15-19(30-14-20-23-24-25-27(20)16-5-3-2-4-6-16)8-7-17-18(28)13-21(31-22(15)17)26-9-11-29-12-10-26/h7-8,13,16H,2-6,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044218 (8-Methyl-2-morpholin-4-yl-7-(2-oxo-propoxy)-chrome...) Show SMILES CC(=O)COc1ccc2c(oc(cc2=O)N2CCOCC2)c1C Show InChI InChI=1S/C17H19NO5/c1-11(19)10-22-15-4-3-13-14(20)9-16(23-17(13)12(15)2)18-5-7-21-8-6-18/h3-4,9H,5-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044189 (8-Methyl-2-morpholin-4-yl-7-(naphthalen-1-ylmethox...) Show SMILES Cc1c(OCc2cccc3ccccc23)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C25H23NO4/c1-17-23(29-16-19-7-4-6-18-5-2-3-8-20(18)19)10-9-21-22(27)15-24(30-25(17)21)26-11-13-28-14-12-26/h2-10,15H,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50228478 (CHEMBL328228) Show SMILES COc1c2occ(F)c2c(OC)c2c1oc(CN1CCC(CCC3CCN(Cc4cc(=O)c5c(OC)c6c(F)coc6c(OC)c5o4)CC3)CC1)cc2=O Show InChI InChI=1S/C40H42F2N2O10/c1-47-33-29-25(41)19-51-35(29)39(49-3)37-31(33)27(45)15-23(53-37)17-43-11-7-21(8-12-43)5-6-22-9-13-44(14-10-22)18-24-16-28(46)32-34(48-2)30-26(42)20-52-36(30)40(50-4)38(32)54-24/h15-16,19-22H,5-14,17-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase				J Med Chem 33: 2685-7 (1990) BindingDB Entry DOI: 10.7270/Q20867JQ
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044190 (8-Methyl-7-(2-methylsulfanyl-ethoxy)-2-morpholin-4...) Show SMILES CSCCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C Show InChI InChI=1S/C17H21NO4S/c1-12-15(21-9-10-23-2)4-3-13-14(19)11-16(22-17(12)13)18-5-7-20-8-6-18/h3-4,11H,5-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044214 (7-{2-[Ethyl-(2-hydroxy-ethyl)-amino]-ethoxy}-8-met...) Show SMILES CCN(CCO)CCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C Show InChI InChI=1S/C20H28N2O5/c1-3-21(6-10-23)7-13-26-18-5-4-16-17(24)14-19(27-20(16)15(18)2)22-8-11-25-12-9-22/h4-5,14,23H,3,6-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044206 (8-Methyl-2-morpholin-4-yl-7-(pyridin-2-ylmethoxy)-...) Show SMILES Cc1c(OCc2ccccn2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H20N2O4/c1-14-18(25-13-15-4-2-3-7-21-15)6-5-16-17(23)12-19(26-20(14)16)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044224 (7-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-2-morpholin...) Show SMILES CN1CCN(CCOc2ccc3c(c2)oc(cc3=O)N2CCOCC2)CC1 Show InChI InChI=1S/C20H27N3O4/c1-21-4-6-22(7-5-21)8-13-26-16-2-3-17-18(24)15-20(27-19(17)14-16)23-9-11-25-12-10-23/h2-3,14-15H,4-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044197 (7-(benzyloxy)-8-methyl-2-morpholino-4H-chromen-4-o...) Show SMILES Cc1c(OCc2ccccc2)ccc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C21H21NO4/c1-15-19(25-14-16-5-3-2-4-6-16)8-7-17-18(23)13-20(26-21(15)17)22-9-11-24-12-10-22/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50044220 (2-Morpholin-4-yl-7-(naphthalen-1-ylmethoxy)-chrome...) Show SMILES O=c1cc(oc2cc(OCc3cccc4ccccc34)ccc12)N1CCOCC1 Show InChI InChI=1S/C24H21NO4/c26-22-15-24(25-10-12-27-13-11-25)29-23-14-19(8-9-21(22)23)28-16-18-6-3-5-17-4-1-2-7-20(17)18/h1-9,14-15H,10-13,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against ADP-induced human platelet aggregation				J Med Chem 36: 2026-32 (1993) BindingDB Entry DOI: 10.7270/Q2RF5T33
					More data for this Ligand-Target Pair

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