Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50114371'   

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 (Mus musculus (Mouse))	BDBM50114371 (CHEMBL3604280) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCCC1CN(CC=C)C2)c1cccc(OC)c1 |TLB:22:21:14:16.17.18| Show InChI InChI=1S/C29H39N3O2/c1-5-18-30-20-25-11-9-12-26(21-30)32(25)28(24-10-8-13-27(19-24)34-4)22-14-16-23(17-15-22)29(33)31(6-2)7-3/h5,8,10,13-17,19,25-26,28H,1,6-7,9,11-12,18,20-21H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
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