Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50033648'   

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))	BDBM50033648 (1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...) Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |c:13,TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2| Show InChI InChI=1S/C27H25N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-12,20,31H,13-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity against kappa opioid receptor from calf frontal cortex.				J Med Chem 36: 3154-60 (1993) BindingDB Entry DOI: 10.7270/Q2K64H31
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