Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50417688'   

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))	BDBM50417688 (CHEMBL1643584) Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1 Show InChI InChI=1S/C27H35N3O3S2/c1-3-4-17-28-18-21-9-11-22(12-10-21)27-29-23(20-34-27)19-30(24-7-5-6-8-24)35(31,32)26-15-13-25(33-2)14-16-26/h9-16,20,24,28H,3-8,17-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01E+3	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 recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
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