Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50246925'   

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))	BDBM50246925 (1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-methyl...) Show SMILES Cc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vantia Ltd Curated by ChEMBL					Assay Description Binding affinity to oxytocin receptor (unknown origin)				J Med Chem 51: 8124-34 (2008) Article DOI: 10.1021/jm8008162 BindingDB Entry DOI: 10.7270/Q28W3D6V
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