Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50152977'   

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))	BDBM50152977 ((3S,5R)-4-Methoxy-2-(4-pyrrolidin-1-yl-piperidine-...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C32H42ClN5O4S/c1-42-25-19-28(31(40)36-15-9-24(10-16-36)35-12-4-5-13-35)38(21-25)32(41)34-20-23-8-7-22(18-26(23)33)30(39)37-14-3-2-6-29-27(37)11-17-43-29/h7-8,11,17-18,24-25,28H,2-6,9-10,12-16,19-21H2,1H3,(H,34,41)/t25-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	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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