Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50205997'   

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))	BDBM50205997 (CHEMBL395290 | [Pip7]OT) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C44H68N12O12S2/c1-5-23(4)36-43(67)50-27(13-14-33(46)58)39(63)52-30(18-34(47)59)40(64)54-31(21-70-69-20-26(45)37(61)51-29(41(65)55-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-6-8-32(56)42(66)53-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,5-8,13-21,45H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,61)(H,52,63)(H,53,66)(H,54,64)(H,55,65)/t23-,26-,27-,28-,29-,30-,31-,32-,36?/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	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Displacement of [3H]OT from human OT receptor expressed in HEK cells				Eur J Med Chem 42: 799-806 (2007) Article DOI: 10.1016/j.ejmech.2006.12.016 BindingDB Entry DOI: 10.7270/Q2P55N5J
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