Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50340691'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50340691 (CHEMBL1762387 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...) Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 Show InChI InChI=1S/C59H64N8O4/c1-40-32-54(60)52-34-46(22-28-56(52)64-40)66-58(68)50-16-10-8-14-44(50)38-70-48-24-18-42(19-25-48)36-62-30-12-6-4-3-5-7-13-31-63-37-43-20-26-49(27-21-43)71-39-45-15-9-11-17-51(45)59(69)67-47-23-29-57-53(35-47)55(61)33-41(2)65-57/h8-11,14-29,32-35,62-63H,3-7,12-13,30-31,36-39H2,1-2H3,(H2,60,64)(H2,61,65)(H,66,68)(H,67,69)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanit£ Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting				Eur J Med Chem 46: 1207-21 (2011) Article DOI: 10.1016/j.ejmech.2011.01.040 BindingDB Entry DOI: 10.7270/Q2NK3FBC
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