Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50240633'   

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))	BDBM50240633 (CHEMBL4093631) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N11O12S2/c1-6-22(4)35-40(63)48-25(11-12-30(42)54)37(60)49-28(17-31(43)55)38(61)50-29(41(64)52(5)19-34(58)47-26(15-21(2)3)36(59)45-18-32(44)56)20-66-65-14-13-33(57)46-27(39(62)51-35)16-23-7-9-24(53)10-8-23/h7-10,21-22,25-29,35,53H,6,11-20H2,1-5H3,(H2,42,54)(H2,43,55)(H2,44,56)(H,45,59)(H,46,57)(H,47,58)(H,48,63)(H,49,60)(H,50,61)(H,51,62)/t22-,25-,26-,27-,28-,29-,35-/m0/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	0.00700	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
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