Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50034542'   

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))	BDBM50034542 (CHEMBL3359794) 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)C(=O)OC |r| Show InChI InChI=1S/C24H30O8/c1-12-14(7-9-30-12)18-11-24(4)15(22(28)32-18)6-8-23(3)16(21(27)29-5)10-17(31-13(2)25)19(26)20(23)24/h7,9,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,23-,24-/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	0.410	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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