Compile Data Set for Download or QSAR

Found 491 hits with Last Name = 'drummond' and Initial = 's'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM12751 (1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12657 (1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19038 (1-(4-methoxyphenyl)-7-oxo-6-{1-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCCC3)C(=O)c12 Show InChI InChI=1S/C30H36N6O3/c1-39-24-10-8-23(9-11-24)36-28-25(27(32-36)29(31)37)14-19-35(30(28)38)22-12-17-34(18-13-22)26-7-3-2-6-21(26)20-33-15-4-5-16-33/h2-3,6-11,22H,4-5,12-20H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	-54.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19042 (6-(1-{2-[(diethylamino)methyl]phenyl}piperidin-4-y...) Show SMILES CCN(CC)Cc1ccccc1N1CCC(CC1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C30H38N6O3/c1-4-33(5-2)20-21-8-6-7-9-26(21)34-17-14-22(15-18-34)35-19-16-25-27(29(31)37)32-36(28(25)30(35)38)23-10-12-24(39-3)13-11-23/h6-13,22H,4-5,14-20H2,1-3H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	-54.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12657 (1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of rabbit Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12657 (1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.300	-53.8	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19036 (6-[1-(2-methanesulfonylphenyl)piperidin-4-yl]-1-(4...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3S(C)(=O)=O)C(=O)c12 Show InChI InChI=1S/C26H29N5O5S/c1-36-19-9-7-18(8-10-19)31-24-20(23(28-31)25(27)32)13-16-30(26(24)33)17-11-14-29(15-12-17)21-5-3-4-6-22(21)37(2,34)35/h3-10,17H,11-16H2,1-2H3,(H2,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.350	-53.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19037 (6-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN(C)C)C(=O)c12 Show InChI InChI=1S/C28H34N6O3/c1-31(2)18-19-6-4-5-7-24(19)32-15-12-20(13-16-32)33-17-14-23-25(27(29)35)30-34(26(23)28(33)36)21-8-10-22(37-3)11-9-21/h4-11,20H,12-18H2,1-3H3,(H2,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.410	-53.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135953 (2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-9-5-3-7-17(22)15-10-11-19(18(26)12-15)31-24(34)21-13-23(25(27,28)29)32-33(21)20-8-4-2-6-16(20)14-30/h2-13H,14,30H2,1H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135943 (2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...) Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C26H22F4N4O4S/c1-38-17-8-10-21(16(11-17)14-31)34-22(13-24(33-34)26(28,29)30)25(35)32-20-9-7-15(12-19(20)27)18-5-3-4-6-23(18)39(2,36)37/h3-13H,14,31H2,1-2H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19039 (1-(4-methoxyphenyl)-6-{1-[2-(morpholin-4-ylmethyl)...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCOCC3)C(=O)c12 Show InChI InChI=1S/C30H36N6O4/c1-39-24-8-6-23(7-9-24)36-28-25(27(32-36)29(31)37)12-15-35(30(28)38)22-10-13-34(14-11-22)26-5-3-2-4-21(26)20-33-16-18-40-19-17-33/h2-9,22H,10-20H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.570	-52.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19032 (1-(3-amino-1,2-benzoxazol-5-yl)-N-{1-[2-(pyrrolidi...) Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCCC1)C(F)(F)F Show InChI InChI=1S/C28H30F3N7O2/c29-28(30,31)25-16-23(38(34-25)20-7-8-24-21(15-20)26(32)35-40-24)27(39)33-19-9-13-37(14-10-19)22-6-2-1-5-18(22)17-36-11-3-4-12-36/h1-2,5-8,15-16,19H,3-4,9-14,17H2,(H2,32,35)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.610	-52.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19034 (1-(3-amino-1,2-benzoxazol-5-yl)-N-(1-{2-[(methylam...) Show SMILES CNCc1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F Show InChI InChI=1S/C25H26F3N7O2/c1-30-14-15-4-2-3-5-19(15)34-10-8-16(9-11-34)31-24(36)20-13-22(25(26,27)28)32-35(20)17-6-7-21-18(12-17)23(29)33-37-21/h2-7,12-13,16,30H,8-11,14H2,1H3,(H2,29,33)(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.670	-51.8	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19035 (1-(3-amino-1,2-benzoxazol-5-yl)-N-[1-(2-{[ethyl(me...) Show SMILES CCN(C)Cc1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F Show InChI InChI=1S/C27H30F3N7O2/c1-3-35(2)16-17-6-4-5-7-21(17)36-12-10-18(11-13-36)32-26(38)22-15-24(27(28,29)30)33-37(22)19-8-9-23-20(14-19)25(31)34-39-23/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H2,31,34)(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	-51.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19033 (1-(3-amino-1,2-benzoxazol-5-yl)-N-[1-(2-{[(2R)-2-h...) Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCC[C@H]1O)C(F)(F)F |r| Show InChI InChI=1S/C28H30F3N7O3/c29-28(30,31)24-15-22(38(34-24)19-7-8-23-20(14-19)26(32)35-41-23)27(40)33-18-9-12-36(13-10-18)21-5-2-1-4-17(21)16-37-11-3-6-25(37)39/h1-2,4-5,7-8,14-15,18,25,39H,3,6,9-13,16H2,(H2,32,35)(H,33,40)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.730	-51.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19040 (6-[1-(2-{[(2S)-2-hydroxypyrrolidin-1-yl]methyl}phe...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCC[C@@H]3O)C(=O)c12 |r| Show InChI InChI=1S/C30H36N6O4/c1-40-23-10-8-22(9-11-23)36-28-24(27(32-36)29(31)38)14-18-35(30(28)39)21-12-16-33(17-13-21)25-6-3-2-5-20(25)19-34-15-4-7-26(34)37/h2-3,5-6,8-11,21,26,37H,4,7,12-19H2,1H3,(H2,31,38)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.870	-51.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135960 (2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...) Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C25H21F4N5O4S/c1-38-16-7-9-20(15(10-16)13-30)34-21(12-23(33-34)25(27,28)29)24(35)32-19-8-6-14(11-18(19)26)17-4-2-3-5-22(17)39(31,36)37/h2-12H,13,30H2,1H3,(H,32,35)(H2,31,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135945 (1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...) Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19041 (1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]p...) Show SMILES CNCc1ccccc1N1CCC(CC1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C27H32N6O3/c1-29-17-18-5-3-4-6-23(18)31-14-11-19(12-15-31)32-16-13-22-24(26(28)34)30-33(25(22)27(32)35)20-7-9-21(36-2)10-8-20/h3-10,19,29H,11-17H2,1-2H3,(H2,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002254 (2-(1-Benzyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22FNO/c21-19-8-6-18(7-9-19)20(23)14-16-10-12-22(13-11-16)15-17-4-2-1-3-5-17/h1-9,16H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135966 (2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)cc1 Show InChI InChI=1S/C25H21F3N4O3S/c1-36(34,35)22-9-5-3-7-19(22)16-10-12-18(13-11-16)30-24(33)21-14-23(25(26,27)28)31-32(21)20-8-4-2-6-17(20)15-29/h2-14H,15,29H2,1H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19029 (1-(3-amino-1,2-benzoxazol-5-yl)-N-[1-(2-methanesul...) Show SMILES CS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F Show InChI InChI=1S/C24H23F3N6O4S/c1-38(35,36)20-5-3-2-4-17(20)32-10-8-14(9-11-32)29-23(34)18-13-21(24(25,26)27)30-33(18)15-6-7-19-16(12-15)22(28)31-37-19/h2-7,12-14H,8-11H2,1H3,(H2,28,31)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	-49.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135961 (2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...) Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C26H23F3N4O4S/c1-37-19-11-12-21(17(13-19)15-30)33-22(14-24(32-33)26(27,28)29)25(34)31-18-9-7-16(8-10-18)20-5-3-4-6-23(20)38(2,35)36/h3-14H,15,30H2,1-2H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135951 (2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...) Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)22-13-20(32(31-22)19-7-3-1-5-16(19)14-28)23(33)30-17-11-9-15(10-12-17)18-6-2-4-8-21(18)36(29,34)35/h1-13H,14,28H2,(H,30,33)(H2,29,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002207 (1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-pip...) Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002275 (1-Benzyl-4-(3-phenyl-propoxy)-piperidine; compound...) Show SMILES C(COC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-8-19(9-4-1)12-7-17-23-21-13-15-22(16-14-21)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002232 (1-Benzyl-4-(4-phenyl-butoxymethyl)-piperidine; hyd...) Show SMILES C(CCc1ccccc1)COCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H31NO/c1-3-9-21(10-4-1)11-7-8-18-25-20-23-14-16-24(17-15-23)19-22-12-5-2-6-13-22/h1-6,9-10,12-13,23H,7-8,11,14-20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002235 (1-Benzyl-4-(4-trifluoromethyl-phenoxymethyl)-piper...) Show SMILES FC(F)(F)c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22F3NO/c21-20(22,23)18-6-8-19(9-7-18)25-15-17-10-12-24(13-11-17)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002209 (1-(2,2-Dichloro-1-methyl-cyclopropylmethyl)-4-(4-f...) Show SMILES CC1(CN2CCC(COc3ccc(F)cc3)CC2)CC1(Cl)Cl Show InChI InChI=1S/C17H22Cl2FNO/c1-16(11-17(16,18)19)12-21-8-6-13(7-9-21)10-22-15-4-2-14(20)3-5-15/h2-5,13H,6-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002219 (1-Benzyl-4-cyclopropoxymethyl-piperidine; compound...) Show SMILES C(OC1CC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C16H23NO/c1-2-4-14(5-3-1)12-17-10-8-15(9-11-17)13-18-16-6-7-16/h1-5,15-16H,6-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002303 (1-Cyclopropylmethyl-4-(3,4-difluoro-phenoxymethyl)...) Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1F Show InChI InChI=1S/C16H21F2NO/c17-15-4-3-14(9-16(15)18)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002292 (4-[4-(4-Fluoro-benzyloxymethyl)-piperidin-1-ylmeth...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccncc3)CC2)cc1 Show InChI InChI=1S/C19H23FN2O/c20-19-3-1-17(2-4-19)14-23-15-18-7-11-22(12-8-18)13-16-5-9-21-10-6-16/h1-6,9-10,18H,7-8,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002229 (1-Benzyl-4-cyclohexyloxymethyl-piperidine; hydroch...) Show SMILES C(OC1CCCCC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H29NO/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002190 (1-Benzyl-4-(4-fluoro-benzyloxymethyl)-piperidine; ...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H24FNO/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17/h1-9,19H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002241 (1-(4-Chloro-benzyl)-4-(4-fluoro-benzyloxymethyl)-p...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 Show InChI InChI=1S/C20H23ClFNO/c21-19-5-1-16(2-6-19)13-23-11-9-18(10-12-23)15-24-14-17-3-7-20(22)8-4-17/h1-8,18H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002252 (1-Benzyl-4-(4-fluoro-phenoxymethyl)-piperidine; hy...) Show SMILES Fc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H22FNO/c20-18-6-8-19(9-7-18)22-15-17-10-12-21(13-11-17)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135954 (2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...) Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O4S/c1-37-18-10-11-20(16(12-18)14-29)33-21(13-23(32-33)25(26,27)28)24(34)31-17-8-6-15(7-9-17)19-4-2-3-5-22(19)38(30,35)36/h2-13H,14,29H2,1H3,(H,31,34)(H2,30,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19028 (1-[2-(aminomethyl)phenyl]-N-[1-(2-methanesulfonylp...) Show SMILES CS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccccc1CN)C(F)(F)F Show InChI InChI=1S/C24H26F3N5O3S/c1-36(34,35)21-9-5-4-8-19(21)31-12-10-17(11-13-31)29-23(33)20-14-22(24(25,26)27)30-32(20)18-7-3-2-6-16(18)15-28/h2-9,14,17H,10-13,15,28H2,1H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40	-48.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135966 (2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CN)C(F)(F)F)cc1 Show InChI InChI=1S/C25H21F3N4O3S/c1-36(34,35)22-9-5-3-7-19(22)16-10-12-18(13-11-16)30-24(33)21-14-23(25(26,27)28)31-32(21)20-8-4-2-6-17(20)15-29/h2-14H,15,29H2,1H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of rabbit Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM18965 (1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135962 (2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole...) Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C23H18F3N5O4S/c1-35-16-9-7-15(8-10-16)31-18(12-20(30-31)23(24,25)26)22(32)29-21-11-6-14(13-28-21)17-4-2-3-5-19(17)36(27,33)34/h2-13H,1H3,(H2,27,33,34)(H,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50135945 (1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoyl...) Show SMILES NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of rabbit Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002272 (1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenoxymethyl)...) Show SMILES Fc1ccc(OCC2CCN(CCC3CC3)CC2)cc1 Show InChI InChI=1S/C17H24FNO/c18-16-3-5-17(6-4-16)20-13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002280 (1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CC(=O)C2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002284 (1-Benzyl-4-(4-methoxy-phenoxymethyl)-piperidine | ...) Show SMILES COc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H25NO2/c1-22-19-7-9-20(10-8-19)23-16-18-11-13-21(14-12-18)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002187 (1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...) Show SMILES OC(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H24FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002217 (2-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-1-(4-fluoro...) Show SMILES Fc1ccc(CN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-20(24)17-3-7-19(22)8-4-17/h1-8,15H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002197 (1-(1-Benzyl-piperidin-4-yl)-3-(4-fluoro-phenyl)-pr...) Show SMILES Fc1ccc(CC(=O)CC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C21H24FNO/c22-20-8-6-17(7-9-20)14-21(24)15-18-10-12-23(13-11-18)16-19-4-2-1-3-5-19/h1-9,18H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002250 (1-(4-Fluoro-phenyl)-2-[1-(4-trifluoromethyl-benzyl...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C21H21F4NO/c22-19-7-3-17(4-8-19)20(27)13-15-9-11-26(12-10-15)14-16-1-5-18(6-2-16)21(23,24)25/h1-8,15H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM19024 (1-[3-(aminomethyl)phenyl]-N-[4-(2-methanesulfonylp...) Show SMILES CS(=O)(=O)c1ccccc1C1=CCC(CC1)NC(=O)c1cc(nn1-c1cccc(CN)c1)C(F)(F)F |t:11| Show InChI InChI=1S/C25H25F3N4O3S/c1-36(34,35)22-8-3-2-7-20(22)17-9-11-18(12-10-17)30-24(33)21-14-23(25(26,27)28)31-32(21)19-6-4-5-16(13-19)15-29/h2-9,13-14,18H,10-12,15,29H2,1H3,(H,30,33)	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	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 17: 1432-7 (2007) Article DOI: 10.1016/j.bmcl.2006.11.071 BindingDB Entry DOI: 10.7270/Q2KD1W5D
					More data for this Ligand-Target Pair

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