BDBM50384831 CHEMBL2035009

SMILES: CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2Cl)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

InChI Key: InChIKey=WXQAJVSEPCGUDJ-UBFVSLLYSA-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 = 50384831   

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))	BDBM50384831 (CHEMBL2035009) Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2Cl)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H34ClN3O3/c1-16(2)13-23-26(33)31-24(20-14-18-9-5-6-10-19(18)15-20)28(35)32(23)25(27(34)30-17(3)4)21-11-7-8-12-22(21)29/h5-12,16-17,20,23-25H,13-15H2,1-4H3,(H,30,34)(H,31,33)/t23-,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair