Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50034547'   

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))	BDBM50034547 (CHEMBL3359798) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1C#CC)C(=O)OC |r| Show InChI InChI=1S/C26H30O8/c1-6-7-18-15(9-11-32-18)20-13-26(4)16(24(30)34-20)8-10-25(3)17(23(29)31-5)12-19(33-14(2)27)21(28)22(25)26/h9,11,16-17,19-20,22H,8,10,12-13H2,1-5H3/t16-,17-,19-,20-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa...				J Med Chem 57: 10464-75 (2014) Article DOI: 10.1021/jm501521d BindingDB Entry DOI: 10.7270/Q2J38V6P
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