Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50024165'   

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
Renin (Homo sapiens (Human))	BDBM50024165 (4-[2-(4-{1-[1-Benzyl-2-(3-methyl-butyrylamino)-2-o...) Show SMILES CCC[C@H](N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)CC(C)C |r| Show InChI InChI=1S/C39H65N5O9/c1-10-14-28(38(51)43-31(20-27-15-12-11-13-16-27)39(52)44-34(47)19-25(6)7)41-29(17-23(2)3)32(45)21-35(48)40-26(8)37(50)42-30(18-24(4)5)33(46)22-36(49)53-9/h11-13,15-16,23-26,28-33,41,45-46H,10,14,17-22H2,1-9H3,(H,40,48)(H,42,50)(H,43,51)(H,44,47,52)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monkey (Callithrix jacchus) plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024165 (4-[2-(4-{1-[1-Benzyl-2-(3-methyl-butyrylamino)-2-o...) Show SMILES CCC[C@H](N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)CC(C)C |r| Show InChI InChI=1S/C39H65N5O9/c1-10-14-28(38(51)43-31(20-27-15-12-11-13-16-27)39(52)44-34(47)19-25(6)7)41-29(17-23(2)3)32(45)21-35(48)40-26(8)37(50)42-30(18-24(4)5)33(46)22-36(49)53-9/h11-13,15-16,23-26,28-33,41,45-46H,10,14,17-22H2,1-9H3,(H,40,48)(H,42,50)(H,43,51)(H,44,47,52)	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	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against man (human) plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50024165 (4-[2-(4-{1-[1-Benzyl-2-(3-methyl-butyrylamino)-2-o...) Show SMILES CCC[C@H](N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)CC(C)C |r| Show InChI InChI=1S/C39H65N5O9/c1-10-14-28(38(51)43-31(20-27-15-12-11-13-16-27)39(52)44-34(47)19-25(6)7)41-29(17-23(2)3)32(45)21-35(48)40-26(8)37(50)42-30(18-24(4)5)33(46)22-36(49)53-9/h11-13,15-16,23-26,28-33,41,45-46H,10,14,17-22H2,1-9H3,(H,40,48)(H,42,50)(H,43,51)(H,44,47,52)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against hog plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024165 (4-[2-(4-{1-[1-Benzyl-2-(3-methyl-butyrylamino)-2-o...) Show SMILES CCC[C@H](N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)CC(C)C |r| Show InChI InChI=1S/C39H65N5O9/c1-10-14-28(38(51)43-31(20-27-15-12-11-13-16-27)39(52)44-34(47)19-25(6)7)41-29(17-23(2)3)32(45)21-35(48)40-26(8)37(50)42-30(18-24(4)5)33(46)22-36(49)53-9/h11-13,15-16,23-26,28-33,41,45-46H,10,14,17-22H2,1-9H3,(H,40,48)(H,42,50)(H,43,51)(H,44,47,52)	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	58	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				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024165 (4-[2-(4-{1-[1-Benzyl-2-(3-methyl-butyrylamino)-2-o...) Show SMILES CCC[C@H](N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)CC(C)C |r| Show InChI InChI=1S/C39H65N5O9/c1-10-14-28(38(51)43-31(20-27-15-12-11-13-16-27)39(52)44-34(47)19-25(6)7)41-29(17-23(2)3)32(45)21-35(48)40-26(8)37(50)42-30(18-24(4)5)33(46)22-36(49)53-9/h11-13,15-16,23-26,28-33,41,45-46H,10,14,17-22H2,1-9H3,(H,40,48)(H,42,50)(H,43,51)(H,44,47,52)	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	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of man plasma renin activity				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50024165 (4-[2-(4-{1-[1-Benzyl-2-(3-methyl-butyrylamino)-2-o...) Show SMILES CCC[C@H](N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)CC(C)C |r| Show InChI InChI=1S/C39H65N5O9/c1-10-14-28(38(51)43-31(20-27-15-12-11-13-16-27)39(52)44-34(47)19-25(6)7)41-29(17-23(2)3)32(45)21-35(48)40-26(8)37(50)42-30(18-24(4)5)33(46)22-36(49)53-9/h11-13,15-16,23-26,28-33,41,45-46H,10,14,17-22H2,1-9H3,(H,40,48)(H,42,50)(H,43,51)(H,44,47,52)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair