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BDBM50174576 CHEMBL3809031

SMILES: [I-].C[N+]1(CC2N(CCc3ccc(F)cc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1

InChI Key: InChIKey=CUTAPBRTPBHLBC-UHFFFAOYSA-M

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174576   
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))		BDBM50174576
PNG
(CHEMBL3809031)
Show SMILES [I-].C[N+]1(CC2N(CCc3ccc(F)cc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1
Show InChI InChI=1S/C25H27ClFN2O2.HI/c1-29(10-2-3-11-29)15-23-20-13-18(27)6-4-16(20)8-9-28(23)25(31)22-14-24(30)19-7-5-17(26)12-21(19)22;/h4-7,12-13,22-23H,2-3,8-11,14-15H2,1H3;1H/q+1;/p-1
PDB

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Similars
PubMed
 138n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...

Bioorg Med Chem 24: 2964-2970 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair