Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50354577'   

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))	BDBM50354577 (CHEMBL1834416) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 54: 6531-7 (2011) Article DOI: 10.1021/jm2003238 BindingDB Entry DOI: 10.7270/Q2NS0V9T
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