Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50077692'   

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))	BDBM50077692 ((3R,4R,5S)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(n...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@H](Cn2cncn2)CNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C35H38N4O3/c1-2-7-27(8-3-1)23-40-17-6-18-41-33-15-13-30(14-16-33)35-32(22-39-26-37-25-38-39)20-36-21-34(35)42-24-28-11-12-29-9-4-5-10-31(29)19-28/h1-5,7-16,19,25-26,32,34-36H,6,17-18,20-24H2/t32-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.920	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))	BDBM50077692 ((3R,4R,5S)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-3-(n...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@H](Cn2cncn2)CNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C35H38N4O3/c1-2-7-27(8-3-1)23-40-17-6-18-41-33-15-13-30(14-16-33)35-32(22-39-26-37-25-38-39)20-36-21-34(35)42-24-28-11-12-29-9-4-5-10-31(29)19-28/h1-5,7-16,19,25-26,32,34-36H,6,17-18,20-24H2/t32-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	190	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