Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50077697'   

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))	BDBM50077697 (7-((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccc(=O)[nH]c2c1 Show InChI InChI=1S/C32H36N2O5/c1-36-30-6-3-2-5-26(30)22-37-17-4-18-38-27-12-9-24(10-13-27)28-15-16-33-20-31(28)39-21-23-7-8-25-11-14-32(35)34-29(25)19-23/h2-3,5-14,19,28,31,33H,4,15-18,20-22H2,1H3,(H,34,35)/t28-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077697 (7-((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccc(=O)[nH]c2c1 Show InChI InChI=1S/C32H36N2O5/c1-36-30-6-3-2-5-26(30)22-37-17-4-18-38-27-12-9-24(10-13-27)28-15-16-33-20-31(28)39-21-23-7-8-25-11-14-32(35)34-29(25)19-23/h2-3,5-14,19,28,31,33H,4,15-18,20-22H2,1H3,(H,34,35)/t28-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				Bioorg Med Chem Lett 9: 1403-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z6S
					More data for this Ligand-Target Pair