Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50369457'   

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))	BDBM50369457 (CHEMBL122092) Show SMILES CC(N1[C@H](CN2[C@@H](C)CN=C12)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 |t:9,TLB:20:21:25:18.19.24,THB:20:19:25:26.21.22,22:21:18:25.23.24,22:23:18:26.21.20| Show InChI InChI=1S/C24H39N3/c1-16-14-25-23-26(16)15-22(21-6-4-3-5-7-21)27(23)17(2)24-11-18-8-19(12-24)10-20(9-18)13-24/h16-22H,3-15H2,1-2H3/t16-,17?,18?,19?,20?,22+,24?/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	1.94E+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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