Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50185325'   

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))	BDBM50185325 (CHEMBL3824013) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(O)=O)c2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H33N3O4/c1-18-12-22(33)13-19(2)23(18)16-25(30)29(36)31-26-10-11-32(17-28(34)35)27-9-8-21(15-24(26)27)14-20-6-4-3-5-7-20/h3-9,12-13,15,25-26,33H,10-11,14,16-17,30H2,1-2H3,(H,31,36)(H,34,35)/t25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes after 1 hr by liquid scintillation counting				J Med Chem 59: 4985-98 (2016) Article DOI: 10.1021/acs.jmedchem.6b00308 BindingDB Entry DOI: 10.7270/Q28917SS
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