BDBM50412922 CHEMBL473443

SMILES: Clc1ccc(cc1)-c1ccc(cc1)C(=O)N(CC1CC1)CC1CCCO1

InChI Key: InChIKey=LRVFSGYUCXZPOA-UHFFFAOYSA-N

Data: 1 KI

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 = 50412922   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50412922 (CHEMBL473443) Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)N(CC1CC1)CC1CCCO1 Show InChI InChI=1S/C22H24ClNO2/c23-20-11-9-18(10-12-20)17-5-7-19(8-6-17)22(25)24(14-16-3-4-16)15-21-2-1-13-26-21/h5-12,16,21H,1-4,13-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human oxytocin receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 990-4 (2009) Article DOI: 10.1016/j.bmcl.2008.11.064 BindingDB Entry DOI: 10.7270/Q2319WTT
					More data for this Ligand-Target Pair