Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50180162'   

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))	BDBM50180162 (CHEMBL3813771) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H67N11O12S2/c1-6-24(4)37-42(65)50-27(13-14-33(45)57)39(62)52-30(20-34(46)58)43(66)54(5)32(22-69-68-17-15-36(60)49-29(40(63)53-37)19-25-9-11-26(56)12-10-25)44(67)55-16-7-8-31(55)41(64)51-28(18-23(2)3)38(61)48-21-35(47)59/h9-12,23-24,27-32,37,56H,6-8,13-22H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,65)(H,51,64)(H,52,62)(H,53,63)/t24-,27-,28-,29-,30-,31-,32-,37-/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	0.290	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 d...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair