Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022529'   

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))	BDBM50022529 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...) Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C34H45N5O6/c1-22(2)16-28(31(41)34(44)45-3)37-33(43)29(19-26-20-35-21-36-26)38-32(42)25(18-30(40)39-14-7-4-8-15-39)17-24-12-9-11-23-10-5-6-13-27(23)24/h5-6,9-13,20-22,25,28-29,31,41H,4,7-8,14-19H2,1-3H3,(H,35,36)(H,37,43)(H,38,42)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration was measured against plasma renin from dog				J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022529 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...) Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C34H45N5O6/c1-22(2)16-28(31(41)34(44)45-3)37-33(43)29(19-26-20-35-21-36-26)38-32(42)25(18-30(40)39-14-7-4-8-15-39)17-24-12-9-11-23-10-5-6-13-27(23)24/h5-6,9-13,20-22,25,28-29,31,41H,4,7-8,14-19H2,1-3H3,(H,35,36)(H,37,43)(H,38,42)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration was measured against plasma renin from human				J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022529 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...) Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C34H45N5O6/c1-22(2)16-28(31(41)34(44)45-3)37-33(43)29(19-26-20-35-21-36-26)38-32(42)25(18-30(40)39-14-7-4-8-15-39)17-24-12-9-11-23-10-5-6-13-27(23)24/h5-6,9-13,20-22,25,28-29,31,41H,4,7-8,14-19H2,1-3H3,(H,35,36)(H,37,43)(H,38,42)	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
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration was measured against plasma renin from dog				J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50022529 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(2-naphthalen-...) Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C34H45N5O6/c1-22(2)16-28(31(41)34(44)45-3)37-33(43)29(19-26-20-35-21-36-26)38-32(42)25(18-30(40)39-14-7-4-8-15-39)17-24-12-9-11-23-10-5-6-13-27(23)24/h5-6,9-13,20-22,25,28-29,31,41H,4,7-8,14-19H2,1-3H3,(H,35,36)(H,37,43)(H,38,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration was measured against plasma renin from rat				J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB
					More data for this Ligand-Target Pair