Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50494230'   

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))	BDBM50494230 (CHEMBL3217051) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NCC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C26H36N2O.2ClH/c1-3-27-23-16-24-18-26(17-23,22-12-7-13-25(29)15-22)20(2)19-28(24)14-8-11-21-9-5-4-6-10-21;;/h4-7,9-10,12-13,15,20,23-24,27,29H,3,8,11,14,16-19H2,1-2H3;2*1H/t20-,23+,24+,26+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
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