Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM17944'   

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))	BDBM17944 (Renin nonpeptide inhibitor, 4 | methyl N-[(3R)-1-[...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](Cc2ccccc12)NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C29H48N4O5/c1-7-8-13-31-27(36)22(19(2)3)15-25(34)23(30)16-29(4,5)17-26(35)33-18-21(32-28(37)38-6)14-20-11-9-10-12-24(20)33/h9-12,19,21-23,25,34H,7-8,13-18,30H2,1-6H3,(H,31,36)(H,32,37)/t21-,22+,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of renin in plasma				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM17944 (Renin nonpeptide inhibitor, 4 | methyl N-[(3R)-1-[...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](Cc2ccccc12)NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C29H48N4O5/c1-7-8-13-31-27(36)22(19(2)3)15-25(34)23(30)16-29(4,5)17-26(35)33-18-21(32-28(37)38-6)14-20-11-9-10-12-24(20)33/h9-12,19,21-23,25,34H,7-8,13-18,30H2,1-6H3,(H,31,36)(H,32,37)/t21-,22+,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair				3D Structure (docked)