Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50122851'   

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))	BDBM50122851 (7N-(4-methoxybenzyl)-22-cyclopropylmethyl-2,16-dih...) Show SMILES COc1ccc(CNC(=O)c2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:18:19:31:23.29.28,37:20:31:23.29.28| Show InChI InChI=1S/C35H35N3O5/c1-42-23-8-4-19(5-9-23)17-36-33(40)22-6-10-26-24(14-22)25-16-35(41)28-15-21-7-11-27(39)31-29(21)34(35,32(43-31)30(25)37-26)12-13-38(28)18-20-2-3-20/h4-11,14,20,28,32,37,39,41H,2-3,12-13,15-18H2,1H3,(H,36,40)/t28?,32-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells				J Med Chem 46: 314-7 (2003) Article DOI: 10.1021/jm020997b BindingDB Entry DOI: 10.7270/Q2PK0GW4
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