Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50216143'   

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))	BDBM50216143 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(4...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=NCCO1 |t:29| Show InChI InChI=1S/C22H29NO8/c1-11(24)30-14-9-13(19(26)28-4)21(2)6-5-12-20(27)31-15(18-23-7-8-29-18)10-22(12,3)17(21)16(14)25/h12-15,17H,5-10H2,1-4H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
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