BDBM50329047 (2-(3-fluoro-2-methylbenzyl)-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone::CHEMBL1270568

SMILES: Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1

InChI Key: InChIKey=YACCYGYSITWPFD-UHFFFAOYSA-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 = 50329047   

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))	BDBM50329047 ((2-(3-fluoro-2-methylbenzyl)-1-phenyl-1H-indol-3-y...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C27H26FN3O/c1-19-20(8-7-12-23(19)28)18-25-26(27(32)30-16-14-29-15-17-30)22-11-5-6-13-24(22)31(25)21-9-3-2-4-10-21/h2-13,29H,14-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)