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BDBM50194991 4-(3-chloro-4-fluorophenylamino)-6-(pyrrolidin-2-ylmethylamino)quinoline-3-carbonitrile::CHEMBL220685

SMILES: Fc1ccc(Nc2c(cnc3ccc(NCC4CCCN4)cc23)C#N)cc1Cl

InChI Key: InChIKey=ACEZAXFMHZDHJA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50194991   
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
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50194991
PNG
(4-(3-chloro-4-fluorophenylamino)-6-(pyrrolidin-2-y...)
Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCC4CCCN4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H19ClFN5/c22-18-9-15(3-5-19(18)23)28-21-13(10-24)11-27-20-6-4-14(8-17(20)21)26-12-16-2-1-7-25-16/h3-6,8-9,11,16,25-26H,1-2,7,12H2,(H,27,28)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Tpl2 kinase by ELISA


Bioorg Med Chem Lett 16: 6067-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.102
BindingDB Entry DOI: 10.7270/Q2W958TR
More data for this
Ligand-Target Pair