Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50178212'   

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))	BDBM50178212 (CHEMBL115305 | N'-(2-hydroxybenzylidene)-2-(N-p-to...) Show SMILES Cc1ccc(cc1)N(CC(=O)N\N=C\c1ccccc1O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H21N3O4S/c1-17-11-13-19(14-12-17)25(30(28,29)20-8-3-2-4-9-20)16-22(27)24-23-15-18-7-5-6-10-21(18)26/h2-15,26H,16H2,1H3,(H,24,27)/b23-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells				J Med Chem 48: 7882-905 (2005) Article DOI: 10.1021/jm050645f BindingDB Entry DOI: 10.7270/Q2QF8TN3
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