Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50077702'   

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))	BDBM50077702 (4-[(3S,4R,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-5...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@H](CSc2ccncc2)CNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C38H40N2O3S/c1-2-7-29(8-3-1)26-41-21-6-22-42-35-15-13-32(14-16-35)38-34(28-44-36-17-19-39-20-18-36)24-40-25-37(38)43-27-30-11-12-31-9-4-5-10-33(31)23-30/h1-5,7-20,23,34,37-38,40H,6,21-22,24-28H2/t34-,37-,38-/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	0.400	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))	BDBM50077702 (4-[(3S,4R,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-5...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@H](CSc2ccncc2)CNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C38H40N2O3S/c1-2-7-29(8-3-1)26-41-21-6-22-42-35-15-13-32(14-16-35)38-34(28-44-36-17-19-39-20-18-36)24-40-25-37(38)43-27-30-11-12-31-9-4-5-10-33(31)23-30/h1-5,7-20,23,34,37-38,40H,6,21-22,24-28H2/t34-,37-,38-/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	490	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