BDBM50065680 CHEMBL3403988

SMILES: COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(c1)-c1cccc(C)c1)C(C)C

InChI Key: InChIKey=GYURMHJSNYXVEG-BZKUTMRRSA-N

Data: 1 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 1 hit for monomerid = 50065680   

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))	BDBM50065680 (CHEMBL3403988) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(c1)-c1cccc(C)c1)C(C)C |r| Show InChI InChI=1S/C34H44N2O5/c1-24(2)36(34(37)29-13-14-31(39-5)32(19-29)40-16-8-15-38-4)22-30-20-35-21-33(30)41-23-26-10-7-12-28(18-26)27-11-6-9-25(3)17-27/h6-7,9-14,17-19,24,30,33,35H,8,15-16,20-23H2,1-5H3/t30-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of human recombinant renin by TR-FRET assay				Bioorg Med Chem Lett 25: 1787-91 (2015) Article DOI: 10.1016/j.bmcl.2015.02.040 BindingDB Entry DOI: 10.7270/Q2RF5WPJ
					More data for this Ligand-Target Pair