Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50145123'   

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))	BDBM50145123 (CHEMBL410573 | d[Cha4]AVP) Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35+,36?,37+,38+,39+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human oxytocin receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
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