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SMILES: CN(CC(=O)N1CCN(CC1CN1CCCC1)C(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=BJGKODHJGKKTRG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272293   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50272293
PNG
(2-((3,4-dichlorophenyl)(methyl)amino)-1-(4-isonico...)
Show SMILES CN(CC(=O)N1CCN(CC1CN1CCCC1)C(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N5O2/c1-28(19-4-5-21(25)22(26)14-19)17-23(32)31-13-12-30(24(33)18-6-8-27-9-7-18)16-20(31)15-29-10-2-3-11-29/h4-9,14,20H,2-3,10-13,15-17H2,1H3
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Article
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n/an/an/an/a 630n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells by [35S]GTPgamma binding assay

Bioorg Med Chem Lett 18: 4470-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.067
BindingDB Entry DOI: 10.7270/Q2TH8MHF
More data for this
Ligand-Target Pair