Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50369459'   

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))	BDBM50369459 (CHEMBL127486) Show SMILES CC(C)C[C@@H]1CN2[C@H](CN=C2N1C(C)C12CC3CC(CC(C3)C1)C2)C1CCCCC1 |c:9,TLB:21:20:23:15.16.17,21:16:23:22.20.19,THB:19:20:15:23.18.17,19:18:15:22.20.21| Show InChI InChI=1S/C27H45N3/c1-18(2)9-24-17-29-25(23-7-5-4-6-8-23)16-28-26(29)30(24)19(3)27-13-20-10-21(14-27)12-22(11-20)15-27/h18-25H,4-17H2,1-3H3/t19?,20?,21?,22?,24-,25-,27?/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	1.21E+3	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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