BDBM50077694 7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-piperidin-3-yloxymethyl}-1,2,3,4-tetrahydro-quinoline::CHEMBL283046

SMILES: C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2CCCNc2c1

InChI Key: InChIKey=GWJQLUAVZSLETP-VEEOACQBSA-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 = 50077694   

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))	BDBM50077694 (7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-pipe...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2CCCNc2c1 Show InChI InChI=1S/C31H38N2O3/c1-2-6-24(7-3-1)22-34-18-5-19-35-28-13-11-26(12-14-28)29-15-17-32-21-31(29)36-23-25-9-10-27-8-4-16-33-30(27)20-25/h1-3,6-7,9-14,20,29,31-33H,4-5,8,15-19,21-23H2/t29-,31+/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	5.10	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))	BDBM50077694 (7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-pipe...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2CCCNc2c1 Show InChI InChI=1S/C31H38N2O3/c1-2-6-24(7-3-1)22-34-18-5-19-35-28-13-11-26(12-14-28)29-15-17-32-21-31(29)36-23-25-9-10-27-8-4-16-33-30(27)20-25/h1-3,6-7,9-14,20,29,31-33H,4-5,8,15-19,21-23H2/t29-,31+/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	330	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