Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50369467'   

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))	BDBM50369467 (CHEMBL435414) Show SMILES CC1CCC(CN2[C@H](CN3[C@H](CN=C23)C2CCCCC2)C2CCCCC2)CC1 |wD:7.22,10.15,t:12,(-.93,-15.5,;-.32,-14.08,;1.22,-13.92,;1.84,-12.51,;.94,-11.27,;1.56,-9.86,;.66,-8.62,;1.12,-7.16,;-.09,-6.26,;-1.34,-7.16,;-2.87,-7.16,;-3.36,-8.6,;-2.11,-9.51,;-.87,-8.62,;-3.71,-5.86,;-5.24,-5.95,;-6.06,-4.65,;-5.36,-3.28,;-3.83,-3.21,;-3,-4.51,;2.59,-6.69,;3.72,-7.74,;5.19,-7.27,;5.53,-5.76,;4.39,-4.72,;2.91,-5.19,;-.6,-11.43,;-1.22,-12.83,)| Show InChI InChI=1S/C25H43N3/c1-19-12-14-20(15-13-19)17-27-24(22-10-6-3-7-11-22)18-28-23(16-26-25(27)28)21-8-4-2-5-9-21/h19-24H,2-18H2,1H3/t19?,20?,23-,24-/m1/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	365	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Inhibitory activity for kappa opioid receptor				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
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