Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50369455'   

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))	BDBM50369455 (CHEMBL127485) Show SMILES CC(N1[C@H](CN2[C@H](CN=C12)C1CCCCC1)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 |t:8,TLB:29:28:31:23.24.25,29:24:31:30.28.27,THB:27:28:23:31.26.25,27:26:23:30.28.29| Show InChI InChI=1S/C29H47N3/c1-20(29-15-21-12-22(16-29)14-23(13-21)17-29)32-27(25-10-6-3-7-11-25)19-31-26(18-30-28(31)32)24-8-4-2-5-9-24/h20-27H,2-19H2,1H3/t20?,21?,22?,23?,26-,27-,29?/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	1.49E+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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