Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50308921'   

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))	BDBM50308921 (CHEMBL592301 | cis-(+/-)-4a-Ethyl-2-(4-fluorobenzy...) Show SMILES CC[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O |r| Show InChI InChI=1S/C20H22FNO2/c1-2-20-10-11-22(12-14-6-8-15(21)9-7-14)13-18(20)24-19-16(20)4-3-5-17(19)23/h3-9,18,23H,2,10-13H2,1H3/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in CHO cells				Bioorg Med Chem 18: 91-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.022 BindingDB Entry DOI: 10.7270/Q21836KX
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