BDBM50077693 (3'R,4'R)-3'-(1,4-Dimethoxy-naphthalen-2-ylmethoxy)-6-[3-(2-methoxy-benzyloxy)-propoxy]-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl::CHEMBL285146

SMILES: COc1ccccc1COCCCOc1ccc(cn1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC

InChI Key: InChIKey=YNZOWKPPAKUTGP-ZUKKLESISA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50077693   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50077693 ((3'R,4'R)-3'-(1,4-Dimethoxy-naphthalen-2-ylmethoxy...) Show SMILES COc1ccccc1COCCCOc1ccc(cn1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C34H40N2O6/c1-37-30-12-7-4-9-25(30)22-40-17-8-18-41-33-14-13-24(20-36-33)27-15-16-35-21-32(27)42-23-26-19-31(38-2)28-10-5-6-11-29(28)34(26)39-3/h4-7,9-14,19-20,27,32,35H,8,15-18,21-23H2,1-3H3/t27-,32+/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	0.5	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))	BDBM50077693 ((3'R,4'R)-3'-(1,4-Dimethoxy-naphthalen-2-ylmethoxy...) Show SMILES COc1ccccc1COCCCOc1ccc(cn1)[C@H]1CCNC[C@@H]1OCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C34H40N2O6/c1-37-30-12-7-4-9-25(30)22-40-17-8-18-41-33-14-13-24(20-36-33)27-15-16-35-21-32(27)42-23-26-19-31(38-2)28-10-5-6-11-29(28)34(26)39-3/h4-7,9-14,19-20,27,32,35H,8,15-18,21-23H2,1-3H3/t27-,32+/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	110	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