Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50077678'   

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))	BDBM50077678 ((3R,4R)-3-(1,4-Dimethoxy-naphthalen-2-ylmethoxy)-4...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C35H41NO6/c1-37-32-12-7-4-9-26(32)23-40-19-8-20-41-28-15-13-25(14-16-28)29-17-18-36-22-34(29)42-24-27-21-33(38-2)30-10-5-6-11-31(30)35(27)39-3/h4-7,9-16,21,29,34,36H,8,17-20,22-24H2,1-3H3/t29-,34+/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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077678 ((3R,4R)-3-(1,4-Dimethoxy-naphthalen-2-ylmethoxy)-4...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C35H41NO6/c1-37-32-12-7-4-9-26(32)23-40-19-8-20-41-28-15-13-25(14-16-28)29-17-18-36-22-34(29)42-24-27-21-33(38-2)30-10-5-6-11-31(30)35(27)39-3/h4-7,9-16,21,29,34,36H,8,17-20,22-24H2,1-3H3/t29-,34+/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	0.0870	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))	BDBM50077678 ((3R,4R)-3-(1,4-Dimethoxy-naphthalen-2-ylmethoxy)-4...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C35H41NO6/c1-37-32-12-7-4-9-26(32)23-40-19-8-20-41-28-15-13-25(14-16-28)29-17-18-36-22-34(29)42-24-27-21-33(38-2)30-10-5-6-11-31(30)35(27)39-3/h4-7,9-16,21,29,34,36H,8,17-20,22-24H2,1-3H3/t29-,34+/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	12	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