Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50393257'   

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))	BDBM50393257 (CHEMBL2151735) Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in HEK293 cell membrane by liquid scintillation counting				J Med Chem 54: 7848-59 (2011) Article DOI: 10.1021/jm200894e BindingDB Entry DOI: 10.7270/Q25X2B1T
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