Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50048129'   

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))	BDBM50048129 (CHEMBL3309515) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H32N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h1-5,8,10,19,23,28,33,35H,6-7,9,11-17H2/t23-,28+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...				Bioorg Med Chem 22: 4067-72 (2014) Article DOI: 10.1016/j.bmc.2014.05.065 BindingDB Entry DOI: 10.7270/Q2JM2C8P
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