Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50021494'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50021494 (1N-[10,17-dihydroxy-4-methyl-(13R,14R,17S)-12-oxa-...) Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |THB:9:8:13:4.5.6| Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14?,17+,18?,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane				J Med Chem 29: 1855-61 (1986) BindingDB Entry DOI: 10.7270/Q21Z43DQ
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