Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50152973'   

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))	BDBM50152973 ((S)-2-(4-Methyl-[1,4]diazepane-1-carbothioyl)-pyrr...) Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12 Show InChI InChI=1S/C28H36ClN5O2S2/c1-31-11-5-12-32(16-15-31)27(37)24-6-4-14-34(24)28(36)30-19-21-9-8-20(18-22(21)29)26(35)33-13-3-2-7-25-23(33)10-17-38-25/h8-10,17-18,24H,2-7,11-16,19H2,1H3,(H,30,36)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a
Ferring Research Ltd Curated by ChEMBL					Assay Description Effective concentration for human Oxytocin receptor				Bioorg Med Chem Lett 14: 4585-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.107 BindingDB Entry DOI: 10.7270/Q2DF6QPR
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