new BindingDB logo
myBDB logout

BDBM21900 4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-8-(trifluoromethyl)quinoline-3-carbonitrile::Cyanoquinoline, 13

SMILES: Fc1ccc(Nc2c(cnc3c(cc(NCc4cnc[nH]4)cc23)C(F)(F)F)C#N)cc1Cl

InChI Key: InChIKey=VNDJQGZFTOLUSU-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21900   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM21900
PNG
(4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...)
Show SMILES Fc1ccc(Nc2c(cnc3c(cc(NCc4cnc[nH]4)cc23)C(F)(F)F)C#N)cc1Cl
Show InChI InChI=1S/C21H13ClF4N6/c22-17-5-12(1-2-18(17)23)32-19-11(6-27)7-30-20-15(19)3-13(4-16(20)21(24,25)26)29-9-14-8-28-10-31-14/h1-5,7-8,10,29H,9H2,(H,28,31)(H,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Wyeth Research



Assay Description
EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...


J Med Chem 50: 4728-45 (2007)


Article DOI: 10.1021/jm070436q
BindingDB Entry DOI: 10.7270/Q2891441
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM21900
PNG
(4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...)
Show SMILES Fc1ccc(Nc2c(cnc3c(cc(NCc4cnc[nH]4)cc23)C(F)(F)F)C#N)cc1Cl
Show InChI InChI=1S/C21H13ClF4N6/c22-17-5-12(1-2-18(17)23)32-19-11(6-27)7-30-20-15(19)3-13(4-16(20)21(24,25)26)29-9-14-8-28-10-31-14/h1-5,7-8,10,29H,9H2,(H,28,31)(H,30,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...


J Med Chem 50: 4728-45 (2007)


Article DOI: 10.1021/jm070436q
BindingDB Entry DOI: 10.7270/Q2891441
More data for this
Ligand-Target Pair