Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50025945'   

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))	BDBM50025945 (CHEMBL3144416 | {1-[1-{3-[1-(1-Carbamoyl-2-phenyl-...) Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C46H66N8O8/c1-29(2)21-36(42(58)52-35(41(47)57)23-31-17-11-7-12-18-31)50-40(56)26-39(55)34(22-30-15-9-6-10-16-30)51-44(60)38(25-33-27-48-28-49-33)53-43(59)37(24-32-19-13-8-14-20-32)54-45(61)62-46(3,4)5/h7-8,11-14,17-20,27-30,34-39,55H,6,9-10,15-16,21-26H2,1-5H3,(H2,47,57)(H,48,49)(H,50,56)(H,51,60)(H,52,58)(H,53,59)(H,54,61)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human kidney renin				J Med Chem 28: 1779-90 (1986) BindingDB Entry DOI: 10.7270/Q2FJ2HC2
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50025945 (CHEMBL3144416 | {1-[1-{3-[1-(1-Carbamoyl-2-phenyl-...) Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C46H66N8O8/c1-29(2)21-36(42(58)52-35(41(47)57)23-31-17-11-7-12-18-31)50-40(56)26-39(55)34(22-30-15-9-6-10-16-30)51-44(60)38(25-33-27-48-28-49-33)53-43(59)37(24-32-19-13-8-14-20-32)54-45(61)62-46(3,4)5/h7-8,11-14,17-20,27-30,34-39,55H,6,9-10,15-16,21-26H2,1-5H3,(H2,47,57)(H,48,49)(H,50,56)(H,51,60)(H,52,58)(H,53,59)(H,54,61)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for inhibition of hog kidney renin.				J Med Chem 28: 1779-90 (1986) BindingDB Entry DOI: 10.7270/Q2FJ2HC2
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50025945 (CHEMBL3144416 | {1-[1-{3-[1-(1-Carbamoyl-2-phenyl-...) Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C46H66N8O8/c1-29(2)21-36(42(58)52-35(41(47)57)23-31-17-11-7-12-18-31)50-40(56)26-39(55)34(22-30-15-9-6-10-16-30)51-44(60)38(25-33-27-48-28-49-33)53-43(59)37(24-32-19-13-8-14-20-32)54-45(61)62-46(3,4)5/h7-8,11-14,17-20,27-30,34-39,55H,6,9-10,15-16,21-26H2,1-5H3,(H2,47,57)(H,48,49)(H,50,56)(H,51,60)(H,52,58)(H,53,59)(H,54,61)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Renin				J Med Chem 28: 1779-90 (1986) BindingDB Entry DOI: 10.7270/Q2FJ2HC2
					More data for this Ligand-Target Pair