Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50077704'   

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))	BDBM50077704 (CHEMBL31880 | Sulfuric acid mono-[(3S,4R,5R)-4-[4-...) Show SMILES OS(=O)(=O)OC[C@@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1 Show InChI InChI=1S/C33H37NO7S/c35-42(36,37)41-24-30-20-34-21-32(40-23-26-11-12-27-9-4-5-10-29(27)19-26)33(30)28-13-15-31(16-14-28)39-18-6-17-38-22-25-7-2-1-3-8-25/h1-5,7-16,19,30,32-34H,6,17-18,20-24H2,(H,35,36,37)/t30-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	2.30	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
Renin (Homo sapiens (Human))	BDBM50077704 (CHEMBL31880 | Sulfuric acid mono-[(3S,4R,5R)-4-[4-...) Show SMILES OS(=O)(=O)OC[C@@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1 Show InChI InChI=1S/C33H37NO7S/c35-42(36,37)41-24-30-20-34-21-32(40-23-26-11-12-27-9-4-5-10-29(27)19-26)33(30)28-13-15-31(16-14-28)39-18-6-17-38-22-25-7-2-1-3-8-25/h1-5,7-16,19,30,32-34H,6,17-18,20-24H2,(H,35,36,37)/t30-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.90E+3	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