Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'herbst' and Initial = 'r'   

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
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027641 (1-(2-Mercapto-propionyl)-2,3-dihydro-1H-indole-2-c...) Show SMILES C[C@H](S)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C12H13NO3S/c1-7(17)11(14)13-9-5-3-2-4-8(9)6-10(13)12(15)16/h2-5,7,10,17H,6H2,1H3,(H,15,16)/t7-,10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027639 (1-(3-Acetylsulfanyl-2-methyl-propionyl)-2,3-dihydr...) Show SMILES CC(CSC(C)=O)C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C15H17NO4S/c1-9(8-21-10(2)17)14(18)16-12-6-4-3-5-11(12)7-13(16)15(19)20/h3-6,9,13H,7-8H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50404972 (CHEMBL2112667) Show SMILES C[C@@H]1CSC(=O)[C@@H]2Cc3ccccc3N2C1=O |r| Show InChI InChI=1S/C13H13NO2S/c1-8-7-17-13(16)11-6-9-4-2-3-5-10(9)14(11)12(8)15/h2-5,8,11H,6-7H2,1H3/t8-,11+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027637 (1-(3-Benzoylsulfanyl-2-methyl-propionyl)-5-ethyl-2...) Show SMILES CCc1ccc2N(C(Cc2c1)C(O)=O)C(=O)C(C)CSC(=O)c1ccccc1 Show InChI InChI=1S/C22H23NO4S/c1-3-15-9-10-18-17(11-15)12-19(21(25)26)23(18)20(24)14(2)13-28-22(27)16-7-5-4-6-8-16/h4-11,14,19H,3,12-13H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50404973 (CHEMBL1979078) Show SMILES C[C@H](CSC(=O)c1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50404969 (CHEMBL2111853) Show SMILES COc1ccc2N([C@@H](Cc2c1)C(O)=O)C(=O)[C@H](C)CSC(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H21NO5S/c1-13(12-28-21(26)14-6-4-3-5-7-14)19(23)22-17-9-8-16(27-2)10-15(17)11-18(22)20(24)25/h3-10,13,18H,11-12H2,1-2H3,(H,24,25)/t13-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027644 (1-(3-Benzoylsulfanyl-propionyl)-2,3-dihydro-1H-ind...) Show SMILES OC(=O)C1Cc2ccccc2N1C(=O)CCSC(=O)c1ccccc1 Show InChI InChI=1S/C19H17NO4S/c21-17(10-11-25-19(24)13-6-2-1-3-7-13)20-15-9-5-4-8-14(15)12-16(20)18(22)23/h1-9,16H,10-12H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027634 (1-(2-Mercapto-propionyl)-2,3-dihydro-1H-indole-2-c...) Show SMILES CC(S)C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C12H13NO3S/c1-7(17)11(14)13-9-5-3-2-4-8(9)6-10(13)12(15)16/h2-5,7,10,17H,6H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027630 (1-(3-Benzoylsulfanyl-2-methyl-propionyl)-2,3-dihyd...) Show SMILES CC(CSC(=O)c1ccccc1)C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027631 (1-(3-Benzoylsulfanyl-2-methyl-propionyl)-5-methoxy...) Show SMILES COc1ccc2N(C(Cc2c1)C(O)=O)C(=O)C(C)CSC(=O)c1ccccc1 Show InChI InChI=1S/C21H21NO5S/c1-13(12-28-21(26)14-6-4-3-5-7-14)19(23)22-17-9-8-16(27-2)10-15(17)11-18(22)20(24)25/h3-10,13,18H,11-12H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027631 (1-(3-Benzoylsulfanyl-2-methyl-propionyl)-5-methoxy...) Show SMILES COc1ccc2N(C(Cc2c1)C(O)=O)C(=O)C(C)CSC(=O)c1ccccc1 Show InChI InChI=1S/C21H21NO5S/c1-13(12-28-21(26)14-6-4-3-5-7-14)19(23)22-17-9-8-16(27-2)10-15(17)11-18(22)20(24)25/h3-10,13,18H,11-12H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027632 (1-(2-Mercapto-acetyl)-2,3-dihydro-1H-indole-2-carb...) Show SMILES OC(=O)C1Cc2ccccc2N1C(=O)CS Show InChI InChI=1S/C11H11NO3S/c13-10(6-16)12-8-4-2-1-3-7(8)5-9(12)11(14)15/h1-4,9,16H,5-6H2,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027634 (1-(2-Mercapto-propionyl)-2,3-dihydro-1H-indole-2-c...) Show SMILES CC(S)C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C12H13NO3S/c1-7(17)11(14)13-9-5-3-2-4-8(9)6-10(13)12(15)16/h2-5,7,10,17H,6H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50404968 (CHEMBL2111854) Show SMILES C[C@H](CSC(=O)c1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O |r| Show InChI InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50404967 (CHEMBL2111855) Show SMILES C[C@@H](CSC(=O)c1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O |r| Show InChI InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)/t13-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027630 (1-(3-Benzoylsulfanyl-2-methyl-propionyl)-2,3-dihyd...) Show SMILES CC(CSC(=O)c1ccccc1)C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4OS/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50404967 (CHEMBL2111855) Show SMILES C[C@@H](CSC(=O)c1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O |r| Show InChI InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)/t13-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50404970 (CHEMBL2112668) Show SMILES C[C@@H](CSC(=O)c1ccccc1)C(=O)N1[C@H](Cc2ccccc12)C(O)=O |r| Show InChI InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027636 (Bis-(1-Propionyl-2,3-dihydro-1H-indole-2-carboxyli...) Show SMILES C[C@H](CSC[C@@H](C)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C26H28N2O6S/c1-15(23(29)27-19-9-5-3-7-17(19)11-21(27)25(31)32)13-35-14-16(2)24(30)28-20-10-6-4-8-18(20)12-22(28)26(33)34/h3-10,15-16,21-22H,11-14H2,1-2H3,(H,31,32)(H,33,34)/t15-,16-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293755 (2-(3-fluoro-4-methoxyphenylamino)-1-(2-(trifluorom...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1F Show InChI InChI=1S/C23H18F4N4O2/c1-33-20-9-7-15(11-17(20)24)29-22-30-18-10-13(21(28)32)6-8-19(18)31(22)12-14-4-2-3-5-16(14)23(25,26)27/h2-11H,12H2,1H3,(H2,28,32)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293761 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1 Show InChI InChI=1S/C23H18F3N3O2S/c1-32-17-9-7-16(8-10-17)27-22-28-19-12-14(21(30)31)6-11-20(19)29(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,27,28)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293752 (1-(benzo[b]thiophen-3-ylmethyl)-2-(4-sulfamoylphen...) Show SMILES NC(=O)c1ccc2n(Cc3csc4ccccc34)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1 Show InChI InChI=1S/C23H19N5O3S2/c24-22(29)14-5-10-20-19(11-14)27-23(26-16-6-8-17(9-7-16)33(25,30)31)28(20)12-15-13-32-21-4-2-1-3-18(15)21/h1-11,13H,12H2,(H2,24,29)(H,26,27)(H2,25,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293762 (CHEMBL558477 | methyl 2-(4-sulfamoylphenylamino)-1...) Show SMILES COC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1 Show InChI InChI=1S/C23H19F3N4O4S/c1-34-21(31)14-6-11-20-19(12-14)29-22(28-16-7-9-17(10-8-16)35(27,32)33)30(20)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,28,29)(H2,27,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293760 (2-(3-fluoro-4-methoxyphenylamino)-1-(2-(trifluorom...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1F Show InChI InChI=1S/C23H17F4N3O3/c1-33-20-9-7-15(11-17(20)24)28-22-29-18-10-13(21(31)32)6-8-19(18)30(22)12-14-4-2-3-5-16(14)23(25,26)27/h2-11H,12H2,1H3,(H,28,29)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293769 (CHEMBL538431 | N-(2-methoxyphenyl)-2-(4-sulfamoylp...) Show SMILES COc1ccccc1NC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1 Show InChI InChI=1S/C29H24F3N5O4S/c1-41-26-9-5-4-8-23(26)35-27(38)18-10-15-25-24(16-18)36-28(34-20-11-13-21(14-12-20)42(33,39)40)37(25)17-19-6-2-3-7-22(19)29(30,31)32/h2-16H,17H2,1H3,(H,34,36)(H,35,38)(H2,33,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293754 (2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)ben...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O2/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50404967 (CHEMBL2111855) Show SMILES C[C@@H](CSC(=O)c1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O |r| Show InChI InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)/t13-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50293754 (2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)ben...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O2/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 preincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293753 (2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluorom...) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O3S/c1-34(32,33)17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293749 (1-(2,3-dimethoxybenzyl)-2-(4-sulfamoylphenylamino)...) Show SMILES COc1cccc(Cn2c(Nc3ccc(cc3)S(N)(=O)=O)nc3cc(ccc23)C(N)=O)c1OC Show InChI InChI=1S/C23H23N5O5S/c1-32-20-5-3-4-15(21(20)33-2)13-28-19-11-6-14(22(24)29)12-18(19)27-23(28)26-16-7-9-17(10-8-16)34(25,30)31/h3-12H,13H2,1-2H3,(H2,24,29)(H,26,27)(H2,25,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293765 (2-(4-methoxyphenylamino)-N-methyl-1-(2-(trifluorom...) Show SMILES CNC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OC)cc3)nc2c1 Show InChI InChI=1S/C24H21F3N4O2/c1-28-22(32)15-7-12-21-20(13-15)30-23(29-17-8-10-18(33-2)11-9-17)31(21)14-16-5-3-4-6-19(16)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,32)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293770 (CHEMBL563993 | N-(2-methoxyphenyl)-2-(4-methoxyphe...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(=O)Nc2ccccc2OC)cc1 Show InChI InChI=1S/C30H25F3N4O3/c1-39-22-14-12-21(13-15-22)34-29-36-25-17-19(28(38)35-24-9-5-6-10-27(24)40-2)11-16-26(25)37(29)18-20-7-3-4-8-23(20)30(31,32)33/h3-17H,18H2,1-2H3,(H,34,36)(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293758 (2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluorom...) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1 Show InChI InChI=1S/C23H18F3N3O4S/c1-34(32,33)17-9-7-16(8-10-17)27-22-28-19-12-14(21(30)31)6-11-20(19)29(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,27,28)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4OS/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 preincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293744 (2-(4-sulfamoylphenylamino)-1-(2-(trifluoromethyl)b...) Show SMILES NC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1 Show InChI InChI=1S/C22H18F3N5O3S/c23-22(24,25)17-4-2-1-3-14(17)12-30-19-10-5-13(20(26)31)11-18(19)29-21(30)28-15-6-8-16(9-7-15)34(27,32)33/h1-11H,12H2,(H2,26,31)(H,28,29)(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	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293779 (6-fluoro-2-(4-sulfamoylphenylamino)-1-(2-(trifluor...) Show SMILES NC(=O)c1cc2nc(Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3C(F)(F)F)c2cc1F Show InChI InChI=1S/C22H17F4N5O3S/c23-17-10-19-18(9-15(17)20(27)32)30-21(29-13-5-7-14(8-6-13)35(28,33)34)31(19)11-12-3-1-2-4-16(12)22(24,25)26/h1-10H,11H2,(H2,27,32)(H,29,30)(H2,28,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50293753 (2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluorom...) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O3S/c1-34(32,33)17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 preincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50293754 (2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)ben...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O2/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 coincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293766 (CHEMBL562353 | N-methyl-2-(4-sulfamoylphenylamino)...) Show SMILES CNC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1 Show InChI InChI=1S/C23H20F3N5O3S/c1-28-21(32)14-6-11-20-19(12-14)30-22(29-16-7-9-17(10-8-16)35(27,33)34)31(20)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,28,32)(H,29,30)(H2,27,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293763 (CHEMBL551230 | methyl 2-(4-methoxyphenylamino)-1-(...) Show SMILES COC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OC)cc3)nc2c1 Show InChI InChI=1S/C24H20F3N3O3/c1-32-18-10-8-17(9-11-18)28-23-29-20-13-15(22(31)33-2)7-12-21(20)30(23)14-16-5-3-4-6-19(16)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4OS/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 coincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027635 (1-(2-Mercapto-propionyl)-2,3-dihydro-1H-indole-2-c...) Show SMILES C[C@H](S)C(=O)N1[C@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C12H13NO3S/c1-7(17)11(14)13-9-5-3-2-4-8(9)6-10(13)12(15)16/h2-5,7,10,17H,6H2,1H3,(H,15,16)/t7-,10+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG 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
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50293754 (2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)ben...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O2/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6 preincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50027639 (1-(3-Acetylsulfanyl-2-methyl-propionyl)-2,3-dihydr...) Show SMILES CC(CSC(C)=O)C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C15H17NO4S/c1-9(8-21-10(2)17)14(18)16-12-6-4-3-5-11(12)7-13(16)15(19)20/h3-6,9,13H,7-8H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 26: 394-403 (1983) BindingDB Entry DOI: 10.7270/Q2T15473
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4OS/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6 preincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50293753 (2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluorom...) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O3S/c1-34(32,33)17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 coincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50293754 (2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)ben...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O2/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4 preincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50293753 (2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluorom...) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O3S/c1-34(32,33)17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6 preincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 159 total )  |  Next  |  Last  >>

Jump to: