Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50326714'   

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))	BDBM50326714 ((3R,6R)-6-sec-butyl-3-(2,3-dihydro-1H-inden-2-yl)-...) Show SMILES CC[C@H](C)[C@@]1(C)N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O5/c1-5-17(2)28(4)27(35)30-23(21-14-19-8-6-7-9-20(19)15-21)25(33)32(28)24(22-16-37-18(3)29-22)26(34)31-10-12-36-13-11-31/h6-9,16-17,21,23-24H,5,10-15H2,1-4H3,(H,30,35)/t17-,23+,24+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DrugMolDesign Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from oxytocin receptor in human uterus tissue				J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ
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