Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50177682'   

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))	BDBM50177682 (3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-pheny...) Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C30H37NO/c1-24-23-31(20-19-26-13-7-4-8-14-26)28(17-9-15-25-11-5-3-6-12-25)22-30(24,2)27-16-10-18-29(32)21-27/h3-8,10-14,16,18,21,24,28,32H,9,15,17,19-20,22-23H2,1-2H3/t24-,28+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
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