Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50384832'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Oxytocin receptor (Homo sapiens (Human))	BDBM50384832 (CHEMBL2035012) Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2C(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H34F3N3O3/c1-16(2)13-23-26(36)34-24(20-14-18-9-5-6-10-19(18)15-20)28(38)35(23)25(27(37)33-17(3)4)21-11-7-8-12-22(21)29(30,31)32/h5-12,16-17,20,23-25H,13-15H2,1-4H3,(H,33,37)(H,34,36)/t23-,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	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
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