Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50077703'   

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))	BDBM50077703 (4-{2-[(3S,4R,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@@H](CNC[C@@H]1OCc1ccc2ccccc2c1)OCCN1CCOCC1 Show InChI InChI=1S/C38H46N2O5/c1-2-7-30(8-3-1)28-42-20-6-21-43-35-15-13-33(14-16-35)38-36(44-24-19-40-17-22-41-23-18-40)26-39-27-37(38)45-29-31-11-12-32-9-4-5-10-34(32)25-31/h1-5,7-16,25,36-39H,6,17-24,26-29H2/t36-,37+,38+/m1/s1	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	1.80	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))	BDBM50077703 (4-{2-[(3S,4R,5R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1[C@@H](CNC[C@@H]1OCc1ccc2ccccc2c1)OCCN1CCOCC1 Show InChI InChI=1S/C38H46N2O5/c1-2-7-30(8-3-1)28-42-20-6-21-43-35-15-13-33(14-16-35)38-36(44-24-19-40-17-22-41-23-18-40)26-39-27-37(38)45-29-31-11-12-32-9-4-5-10-34(32)25-31/h1-5,7-16,25,36-39H,6,17-24,26-29H2/t36-,37+,38+/m1/s1	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	380	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