Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50143604'   

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))	BDBM50143604 (13-cyclopropylmethyl-1,16-dimethyl-(1R,12R,16R)-7-...) Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1 |TLB:19:18:1:13.4.3| Show InChI InChI=1S/C19H25N3S/c1-11-16-7-13-8-17-15(21-18(20)23-17)9-14(13)19(11,2)5-6-22(16)10-12-3-4-12/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,20,21)/t11-,16+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes				J Med Chem 47: 1886-8 (2004) Article DOI: 10.1021/jm049978n BindingDB Entry DOI: 10.7270/Q2N58N4X
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