Compile Data Set for Download or QSAR

Found 578 hits with Last Name = 'batley' and Initial = 'bl'   

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)	BDBM2510 ((+/-)-3-[ 1-(Cyclopentylthio)-3-methylbutyl]-4-hyd...) Show SMILES CC(C)CC(SC1CCCC1)c1c(O)cc(oc1=O)-c1ccccc1 Show InChI InChI=1S/C21H26O3S/c1-14(2)12-19(25-16-10-6-7-11-16)20-17(22)13-18(24-21(20)23)15-8-4-3-5-9-15/h3-5,8-9,13-14,16,19,22H,6-7,10-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	-44.4	58	n/a	n/a	n/a	n/a	4.7	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				J Med Chem 38: 898-905 (1995) Article DOI: 10.1021/jm00006a007 BindingDB Entry DOI: 10.7270/Q2348HJB
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM3443 (1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyr...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	45.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 286: 569-77 (1998) BindingDB Entry DOI: 10.7270/Q2C24TZQ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008145 (CHEMBL286147 | Morpholine-4-carboxylic acid (1-{1-...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C36H52F2N6O7/c1-2-9-28(40-33(47)30(25-27-12-7-4-8-13-27)42-35(49)44-18-22-51-23-19-44)32(46)41-29(24-26-10-5-3-6-11-26)31(45)36(37,38)34(48)39-14-15-43-16-20-50-21-17-43/h2,4,7-8,12-13,26,28-30H,1,3,5-6,9-11,14-25H2,(H,39,48)(H,40,47)(H,41,46)(H,42,49)/t28-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045292 ((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monkey plasma renin				Bioorg Med Chem Lett 4: 2029-2034 (1994) Article DOI: 10.1016/S0960-894X(01)80557-6 BindingDB Entry DOI: 10.7270/Q2RB74JC
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045292 ((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for inhibitory activity against monkey plasma renin.				Bioorg Med Chem Lett 3: 2119-2124 (1993) Article DOI: 10.1016/S0960-894X(01)81029-5 BindingDB Entry DOI: 10.7270/Q25B02DT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008141 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCc1ccccn1 Show InChI InChI=1S/C36H50F2N6O7S/c1-2-11-29(41-34(47)31(25-27-14-7-4-8-15-27)43-52(49,50)44-20-22-51-23-21-44)33(46)42-30(24-26-12-5-3-6-13-26)32(45)36(37,38)35(48)40-19-17-28-16-9-10-18-39-28/h2,4,7-10,14-16,18,26,29-32,43,45H,1,3,5-6,11-13,17,19-25H2,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008130 (2-[3-Phenyl-2-(3-pyridin-3-yl-propionylamino)-prop...) Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C39H54F2N6O6/c1-2-10-31(45-37(51)33(26-29-13-7-4-8-14-29)44-34(48)17-16-30-15-9-18-42-27-30)36(50)46-32(25-28-11-5-3-6-12-28)35(49)39(40,41)38(52)43-19-20-47-21-23-53-24-22-47/h2,4,7-9,13-15,18,27-28,31-33,35,49H,1,3,5-6,10-12,16-17,19-26H2,(H,43,52)(H,44,48)(H,45,51)(H,46,50)/t31-,32-,33-,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008129 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES FC(F)(C(=O)NCCc1ccccn1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C36H48F2N6O7S/c1-2-11-29(41-34(47)31(25-27-14-7-4-8-15-27)43-52(49,50)44-20-22-51-23-21-44)33(46)42-30(24-26-12-5-3-6-13-26)32(45)36(37,38)35(48)40-19-17-28-16-9-10-18-39-28/h2,4,7-10,14-16,18,26,29-31,43H,1,3,5-6,11-13,17,19-25H2,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008151 (2-[3-Phenyl-2-(3-pyridin-3-yl-propionylamino)-prop...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1 Show InChI InChI=1S/C39H52F2N6O6/c1-2-10-31(45-37(51)33(26-29-13-7-4-8-14-29)44-34(48)17-16-30-15-9-18-42-27-30)36(50)46-32(25-28-11-5-3-6-12-28)35(49)39(40,41)38(52)43-19-20-47-21-23-53-24-22-47/h2,4,7-9,13-15,18,27-28,31-33H,1,3,5-6,10-12,16-17,19-26H2,(H,43,52)(H,44,48)(H,45,51)(H,46,50)/t31-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008138 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C36H58F2N6O8S/c1-2-3-14-29(40-34(47)31(26-28-12-8-5-9-13-28)42-53(49,50)44-19-23-52-24-20-44)33(46)41-30(25-27-10-6-4-7-11-27)32(45)36(37,38)35(48)39-15-16-43-17-21-51-22-18-43/h5,8-9,12-13,27,29-32,42,45H,2-4,6-7,10-11,14-26H2,1H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008132 (5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H48F2N6O8S/c33-32(34,31(44)35-11-12-39-13-17-47-18-14-39)29(42)26(21-24-7-3-1-4-8-24)37-28(41)23-36-30(43)27(22-25-9-5-2-6-10-25)38-49(45,46)40-15-19-48-20-16-40/h2,5-6,9-10,24,26-27,38H,1,3-4,7-8,11-23H2,(H,35,44)(H,36,43)(H,37,41)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008153 (CHEMBL32575 | Morpholine-4-carboxylic acid (1-{1-[...) Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C36H54F2N6O7/c1-2-9-28(40-33(47)30(25-27-12-7-4-8-13-27)42-35(49)44-18-22-51-23-19-44)32(46)41-29(24-26-10-5-3-6-11-26)31(45)36(37,38)34(48)39-14-15-43-16-20-50-21-17-43/h2,4,7-8,12-13,26,28-31,45H,1,3,5-6,9-11,14-25H2,(H,39,48)(H,40,47)(H,41,46)(H,42,49)/t28-,29-,30-,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008147 (2-[3-(4-Methoxy-phenyl)-2-(morpholine-4-sulfonylam...) Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C36H54F2N6O9S/c1-3-7-29(40-34(47)31(25-27-10-12-28(51-2)13-11-27)42-54(49,50)44-18-22-53-23-19-44)33(46)41-30(24-26-8-5-4-6-9-26)32(45)36(37,38)35(48)39-14-15-43-16-20-52-21-17-43/h3,10-13,26,29-31,42H,1,4-9,14-25H2,2H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008121 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@@H](NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C1CCCCC1 Show InChI InChI=1S/C34H50F2N6O8S/c1-2-9-27(38-32(45)28(24-25-10-5-3-6-11-25)40-51(47,48)42-18-22-50-23-19-42)31(44)39-29(26-12-7-4-8-13-26)30(43)34(35,36)33(46)37-14-15-41-16-20-49-21-17-41/h2-3,5-6,10-11,26-29,40H,1,4,7-9,12-24H2,(H,37,46)(H,38,45)(H,39,44)/t27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008158 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CCS[C@H](C)CNC(=O)C(F)(F)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H53F2N5O7S2/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-50(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)49-5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27+,28+,29+,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008133 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C36H56F2N6O8S/c1-2-3-14-29(40-34(47)31(26-28-12-8-5-9-13-28)42-53(49,50)44-19-23-52-24-20-44)33(46)41-30(25-27-10-6-4-7-11-27)32(45)36(37,38)35(48)39-15-16-43-17-21-51-22-18-43/h5,8-9,12-13,27,29-31,42H,2-4,6-7,10-11,14-26H2,1H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008127 (2-[3-Phenyl-2-(piperazine-1-sulfonylamino)-propion...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C34H52F2N6O6S/c1-4-12-27(39-32(45)29(22-26-15-10-7-11-16-26)41-49(47,48)42-19-17-37-18-20-42)31(44)40-28(21-25-13-8-6-9-14-25)30(43)34(35,36)33(46)38-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,37,41H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,38,46)(H,39,45)(H,40,44)/t24-,27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008136 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C35H46F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2-8,10-13,28-30,41H,1,9,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50006844 ((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C33H52N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-23,26-30,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)/t26-,27-,28-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monkey plasma renin				Bioorg Med Chem Lett 4: 2029-2034 (1994) Article DOI: 10.1016/S0960-894X(01)80557-6 BindingDB Entry DOI: 10.7270/Q2RB74JC
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008122 (5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...) Show SMILES CCOC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H44F2N4O8S/c1-3-11-24(28(39)35-25(20-22-12-7-5-8-13-22)27(38)31(32,33)30(41)45-4-2)34-29(40)26(21-23-14-9-6-10-15-23)36-46(42,43)37-16-18-44-19-17-37/h3,6,9-10,14-15,22,24-26,36H,1,4-5,7-8,11-13,16-21H2,2H3,(H,34,40)(H,35,39)/t24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008137 (2-[2-(4-Methyl-piperazine-1-sulfonylamino)-3-pheny...) Show SMILES CN1CCN(CC1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C36H57F2N7O7S/c1-3-10-29(40-34(48)31(26-28-13-8-5-9-14-28)42-53(50,51)45-19-17-43(2)18-20-45)33(47)41-30(25-27-11-6-4-7-12-27)32(46)36(37,38)35(49)39-15-16-44-21-23-52-24-22-44/h3,5,8-9,13-14,27,29-32,42,46H,1,4,6-7,10-12,15-26H2,2H3,(H,39,49)(H,40,48)(H,41,47)/t29-,30-,31-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50283014 (CHEMBL291139 | {(S)-1-[(S)-1-((1S,2R,3S)-1-Cyclohe...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C33H53N3O6/c1-7-14-25(30(39)35-26(20-23-15-10-8-11-16-23)29(38)28(37)19-22(2)3)34-31(40)27(21-24-17-12-9-13-18-24)36-32(41)42-33(4,5)6/h7,9,12-13,17-18,22-23,25-29,37-38H,1,8,10-11,14-16,19-21H2,2-6H3,(H,34,40)(H,35,39)(H,36,41)/t25-,26-,27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monkey plasma renin				Bioorg Med Chem Lett 4: 2029-2034 (1994) Article DOI: 10.1016/S0960-894X(01)80557-6 BindingDB Entry DOI: 10.7270/Q2RB74JC
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008148 (5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...) Show SMILES CCCO[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H56F2N6O9S/c1-2-19-52-33(40-31(45)29(25-27-11-7-4-8-12-27)41-53(48,49)43-17-22-51-23-18-43)32(46)39-28(24-26-9-5-3-6-10-26)30(44)35(36,37)34(47)38-13-14-42-15-20-50-21-16-42/h4,7-8,11-12,26,28-30,33,41,44H,2-3,5-6,9-10,13-25H2,1H3,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30?,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008142 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES OC([C@H](Cc1ccccc1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H48F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2-8,10-13,28-31,41,44H,1,9,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50006856 (4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...) Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cs1 Show InChI InChI=1S/C36H52F2N8O8S2/c37-36(38,34(50)40-11-12-45-13-17-53-18-14-45)31(47)28(21-25-7-3-1-4-8-25)42-32(48)29(23-27-24-55-35(39)41-27)43-33(49)30(22-26-9-5-2-6-10-26)44-56(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-25,28-30,44H,1,3-4,7-8,11-23H2,(H2,39,41)(H,40,50)(H,42,48)(H,43,49)/t28-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008154 (2-[3-Phenyl-2-(piperazine-1-sulfonylamino)-propion...) Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H55F2N7O7S/c1-2-9-28(40-33(47)30(25-27-12-7-4-8-13-27)42-52(49,50)44-18-14-38-15-19-44)32(46)41-29(24-26-10-5-3-6-11-26)31(45)35(36,37)34(48)39-16-17-43-20-22-51-23-21-43/h2,4,7-8,12-13,26,28-31,38,42,45H,1,3,5-6,9-11,14-25H2,(H,39,48)(H,40,47)(H,41,46)/t28-,29-,30-,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008125 (CHEMBL285207 | N-[1-Cyclohexylmethyl-3,3-difluoro-...) Show SMILES COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H52F2N6O10S/c1-50-32(46)28(39-30(44)27(23-25-10-6-3-7-11-25)40-53(48,49)42-16-20-52-21-17-42)31(45)38-26(22-24-8-4-2-5-9-24)29(43)34(35,36)33(47)37-12-13-41-14-18-51-19-15-41/h3,6-7,10-11,24,26-29,40,43H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,45)(H,39,44)/t26-,27-,28+,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008144 (4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...) Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(O)C(F)(F)C(=O)NCCN2CCOCC2)cs1 Show InChI InChI=1S/C36H54F2N8O8S2/c37-36(38,34(50)40-11-12-45-13-17-53-18-14-45)31(47)28(21-25-7-3-1-4-8-25)42-32(48)29(23-27-24-55-35(39)41-27)43-33(49)30(22-26-9-5-2-6-10-26)44-56(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-25,28-31,44,47H,1,3-4,7-8,11-23H2,(H2,39,41)(H,40,50)(H,42,48)(H,43,49)/t28-,29-,30-,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008156 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H54F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-31,41,44H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008162 (CHEMBL31621 | N-[1-Cyclohexylmethyl-3,3-difluoro-3...) Show SMILES COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H50F2N6O10S/c1-50-32(46)28(39-30(44)27(23-25-10-6-3-7-11-25)40-53(48,49)42-16-20-52-21-17-42)31(45)38-26(22-24-8-4-2-5-9-24)29(43)34(35,36)33(47)37-12-13-41-14-18-51-19-15-41/h3,6-7,10-11,24,26-28,40H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,45)(H,39,44)/t26-,27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008149 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CCS[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H51F2N5O7S2/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-50(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)49-5-2/h4,7,10-11,15-16,24-25,27-29,40H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27+,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50368310 (CHEMBL1790136) Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H54F2N6O9S/c1-24(43)29(39-31(45)28(23-26-10-6-3-7-11-26)40-52(48,49)42-16-20-51-21-17-42)32(46)38-27(22-25-8-4-2-5-9-25)30(44)34(35,36)33(47)37-12-13-41-14-18-50-19-15-41/h3,6-7,10-11,24-25,27-30,40,43-44H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,46)(H,39,45)/t24-,27-,28-,29-,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008124 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES OC([C@@H](NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C1CCCCC1)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H52F2N6O8S/c1-2-9-27(38-32(45)28(24-25-10-5-3-6-11-25)40-51(47,48)42-18-22-50-23-19-42)31(44)39-29(26-12-7-4-8-13-26)30(43)34(35,36)33(46)37-14-15-41-16-20-49-21-17-41/h2-3,5-6,10-11,26-30,40,43H,1,4,7-9,12-24H2,(H,37,46)(H,38,45)(H,39,44)/t27-,28-,29-,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008123 (5-Cyclohexyl-2,2-difluoro-4-{3-(1H-imidazol-4-yl)-...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C36H52F2N8O8S/c37-36(38,35(50)40-11-12-45-13-17-53-18-14-45)32(47)29(21-26-7-3-1-4-8-26)42-33(48)30(23-28-24-39-25-41-28)43-34(49)31(22-27-9-5-2-6-10-27)44-55(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-26,29-31,44H,1,3-4,7-8,11-23H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008131 (2-[2-(4-Methyl-piperazine-1-sulfonylamino)-3-pheny...) Show SMILES CN1CCN(CC1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C36H55F2N7O7S/c1-3-10-29(40-34(48)31(26-28-13-8-5-9-14-28)42-53(50,51)45-19-17-43(2)18-20-45)33(47)41-30(25-27-11-6-4-7-12-27)32(46)36(37,38)35(49)39-15-16-44-21-23-52-24-22-44/h3,5,8-9,13-14,27,29-31,42H,1,4,6-7,10-12,15-26H2,2H3,(H,39,49)(H,40,48)(H,41,47)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008140 (5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...) Show SMILES CC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H50F2N6O9S/c1-24(43)29(39-31(45)28(23-26-10-6-3-7-11-26)40-52(48,49)42-16-20-51-21-17-42)32(46)38-27(22-25-8-4-2-5-9-25)30(44)34(35,36)33(47)37-12-13-41-14-18-50-19-15-41/h3,6-7,10-11,25,27-29,40H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,46)(H,39,45)/t27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008139 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008146 (2-[3-(4-Methoxy-phenyl)-2-(morpholine-4-sulfonylam...) Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC2CCCCC2)C(O)C(F)(F)C(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C36H56F2N6O9S/c1-3-7-29(40-34(47)31(25-27-10-12-28(51-2)13-11-27)42-54(49,50)44-18-22-53-23-19-44)33(46)41-30(24-26-8-5-4-6-9-26)32(45)36(37,38)35(48)39-14-15-43-16-20-52-21-17-43/h3,10-13,26,29-32,42,45H,1,4-9,14-25H2,2H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008157 (4-(1-{1-[1-Cyclohexylmethyl-3,3-difluoro-2-hydroxy...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C39H62F2N6O8S/c1-7-15-30(34(49)44-31(24-28-16-11-9-12-17-28)33(48)39(40,41)36(51)42-26-27(3)8-2)43-35(50)32(25-29-18-13-10-14-19-29)45-56(53,54)47-22-20-46(21-23-47)37(52)55-38(4,5)6/h7,10,13-14,18-19,27-28,30-33,45,48H,1,8-9,11-12,15-17,20-26H2,2-6H3,(H,42,51)(H,43,50)(H,44,49)/t27-,30-,31-,32-,33?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008161 (5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...) Show SMILES CCOC(=O)C(F)(F)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H46F2N4O8S/c1-3-11-24(28(39)35-25(20-22-12-7-5-8-13-22)27(38)31(32,33)30(41)45-4-2)34-29(40)26(21-23-14-9-6-10-15-23)36-46(42,43)37-16-18-44-19-17-37/h3,6,9-10,14-15,22,24-27,36,38H,1,4-5,7-8,11-13,16-21H2,2H3,(H,34,40)(H,35,39)/t24-,25-,26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008134 (5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...) Show SMILES CCCO[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H54F2N6O9S/c1-2-19-52-33(40-31(45)29(25-27-11-7-4-8-12-27)41-53(48,49)43-17-22-51-23-18-43)32(46)39-28(24-26-9-5-3-6-10-26)30(44)35(36,37)34(47)38-13-14-42-15-20-50-21-16-42/h4,7-8,11-12,26,28-29,33,41H,2-3,5-6,9-10,13-25H2,1H3,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008128 (6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...) Show SMILES CNC(=S)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C38H62F2N8O8S2/c1-41-37(57)43-15-9-8-14-30(44-35(51)32(27-29-12-6-3-7-13-29)46-58(53,54)48-20-24-56-25-21-48)34(50)45-31(26-28-10-4-2-5-11-28)33(49)38(39,40)36(52)42-16-17-47-18-22-55-23-19-47/h3,6-7,12-13,28,30-33,46,49H,2,4-5,8-11,14-27H2,1H3,(H,42,52)(H,44,51)(H,45,50)(H2,41,43,57)/t30-,31-,32-,33?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008152 (4-(1-{1-[1-Cyclohexylmethyl-3,3-difluoro-3-(2-meth...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C39H60F2N6O8S/c1-7-15-30(34(49)44-31(24-28-16-11-9-12-17-28)33(48)39(40,41)36(51)42-26-27(3)8-2)43-35(50)32(25-29-18-13-10-14-19-29)45-56(53,54)47-22-20-46(21-23-47)37(52)55-38(4,5)6/h7,10,13-14,18-19,27-28,30-32,45H,1,8-9,11-12,15-17,20-26H2,2-6H3,(H,42,51)(H,43,50)(H,44,49)/t27-,30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50006859 (2-((R)-(S)-Morpholine-4-sulfonyl)-1,2,3,4-tetrahyd...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H52N6O7S2/c1-22(2)16-30(41)31(42)27(17-23-8-4-3-5-9-23)37-32(43)28(19-26-21-48-34(35)36-26)38-33(44)29-18-24-10-6-7-11-25(24)20-40(29)49(45,46)39-12-14-47-15-13-39/h6-7,10-11,21-23,27-31,41-42H,3-5,8-9,12-20H2,1-2H3,(H2,35,36)(H,37,43)(H,38,44)/t27-,28-,29-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monkey plasma renin				Bioorg Med Chem Lett 4: 2029-2034 (1994) Article DOI: 10.1016/S0960-894X(01)80557-6 BindingDB Entry DOI: 10.7270/Q2RB74JC
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50283016 ((S)-2-(Morpholine-4-sulfonyl)-1,2,3,4-tetrahydro-i...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C33H52N4O7S/c1-4-10-27(32(40)35-28(20-24-11-6-5-7-12-24)31(39)30(38)19-23(2)3)34-33(41)29-21-25-13-8-9-14-26(25)22-37(29)45(42,43)36-15-17-44-18-16-36/h4,8-9,13-14,23-24,27-31,38-39H,1,5-7,10-12,15-22H2,2-3H3,(H,34,41)(H,35,40)/t27-,28-,29-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monkey plasma renin				Bioorg Med Chem Lett 4: 2029-2034 (1994) Article DOI: 10.1016/S0960-894X(01)80557-6 BindingDB Entry DOI: 10.7270/Q2RB74JC
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008126 (5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{3-(1H-imida...) Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C36H54F2N8O8S/c37-36(38,35(50)40-11-12-45-13-17-53-18-14-45)32(47)29(21-26-7-3-1-4-8-26)42-33(48)30(23-28-24-39-25-41-28)43-34(49)31(22-27-9-5-2-6-10-27)44-55(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-26,29-32,44,47H,1,3-4,7-8,11-23H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)/t29-,30-,31-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50008160 ((1-{1-[1-Cyclohexylmethyl-3,3-difluoro-3-(2-morpho...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C36H53F2N5O7/c1-5-12-27(40-32(46)29(24-26-15-10-7-11-16-26)42-34(48)50-35(2,3)4)31(45)41-28(23-25-13-8-6-9-14-25)30(44)36(37,38)33(47)39-17-18-43-19-21-49-22-20-43/h5,7,10-11,15-16,25,27-29H,1,6,8-9,12-14,17-24H2,2-4H3,(H,39,47)(H,40,46)(H,41,45)(H,42,48)/t27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.				J Med Chem 35: 2-14 (1992) BindingDB Entry DOI: 10.7270/Q22J6CGV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50283019 ((S)-N-[((1S,2R,3S)-1-Cyclohexylmethyl-2,3-dihydrox...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C29H48N4O7S/c1-21(2)17-26(34)28(36)24(18-22-9-5-3-6-10-22)31-27(35)20-30-29(37)25(19-23-11-7-4-8-12-23)32-41(38,39)33-13-15-40-16-14-33/h4,7-8,11-12,21-22,24-26,28,32,34,36H,3,5-6,9-10,13-20H2,1-2H3,(H,30,37)(H,31,35)/t24-,25-,26-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monkey plasma renin				Bioorg Med Chem Lett 4: 2029-2034 (1994) Article DOI: 10.1016/S0960-894X(01)80557-6 BindingDB Entry DOI: 10.7270/Q2RB74JC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3451 (3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diet...) Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3453 (3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...) Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)Nc3ccccc3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C28H31Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h5-7,10-14,17-18H,3-4,8-9,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair

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