Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50114370'   

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))	BDBM50114370 (CHEMBL3604281) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCC(C1)N2CC=C)c1cccc(OC)c1 |THB:13:14:22:18.19| Show InChI InChI=1S/C29H39N3O2/c1-5-18-32-25-15-16-26(32)21-31(19-17-25)28(24-9-8-10-27(20-24)34-4)22-11-13-23(14-12-22)29(33)30(6-2)7-3/h5,8-14,20,25-26,28H,1,6-7,15-19,21H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.45E+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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