BDBM50077696 4-[2-(7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl]-piperidin-3-yloxymethyl}-naphthalen-2-yloxy)-ethyl]-morpholine::CHEMBL285779

SMILES: C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccc(OCCN3CCOCC3)cc2c1

InChI Key: InChIKey=SHAMCHNYKIYNST-AMAPPZPBSA-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 = 50077696   

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))	BDBM50077696 (4-[2-(7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccc(OCCN3CCOCC3)cc2c1 Show InChI InChI=1S/C38H46N2O5/c1-2-5-30(6-3-1)28-42-20-4-21-43-35-12-10-33(11-13-35)37-15-16-39-27-38(37)45-29-31-7-8-32-9-14-36(26-34(32)25-31)44-24-19-40-17-22-41-23-18-40/h1-3,5-14,25-26,37-39H,4,15-24,27-29H2/t37-,38+/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
Renin (Homo sapiens (Human))	BDBM50077696 (4-[2-(7-{(3R,4R)-4-[4-(3-Benzyloxy-propoxy)-phenyl...) Show SMILES C(COCc1ccccc1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccc(OCCN3CCOCC3)cc2c1 Show InChI InChI=1S/C38H46N2O5/c1-2-5-30(6-3-1)28-42-20-4-21-43-35-12-10-33(11-13-35)37-15-16-39-27-38(37)45-29-31-7-8-32-9-14-36(26-34(32)25-31)44-24-19-40-17-22-41-23-18-40/h1-3,5-14,25-26,37-39H,4,15-24,27-29H2/t37-,38+/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	130	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