Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50194393'   

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))	BDBM50194393 (((2S,4aR,6aS,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3...) Show SMILES CC(N(C)C(=O)OCC1c2ccccc2-c2ccccc12)C(=O)OC[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)c1ccoc1 Show InChI InChI=1S/C41H45NO10/c1-23(42(5)39(47)50-22-31-29-12-8-6-10-27(29)28-11-7-9-13-30(28)31)37(45)49-21-26-18-33(51-24(2)43)35(44)36-40(26,3)16-14-32-38(46)52-34(19-41(32,36)4)25-15-17-48-20-25/h6-13,15,17,20,23,26,31-34,36H,14,16,18-19,21-22H2,1-5H3/t23?,26-,32-,33-,34-,36-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 5498-502 (2006) Article DOI: 10.1016/j.bmcl.2006.08.051 BindingDB Entry DOI: 10.7270/Q2QN66CC
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