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BDBM50141145 But-2-ynoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide::CHEMBL31876

SMILES: CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

InChI Key: InChIKey=GPLSEURFJLQXHR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50141145   
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))
BDBM50141145
PNG
(But-2-ynoic acid [4-(3-chloro-4-fluoro-phenylamino...)
Show SMILES CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C20H12ClFN4O/c1-2-3-19(27)25-13-5-7-18-15(8-13)20(12(10-23)11-24-18)26-14-4-6-17(22)16(21)9-14/h4-9,11H,1H3,(H,24,26)(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor kinase autophosphorylation


Bioorg Med Chem Lett 14: 1411-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.034
BindingDB Entry DOI: 10.7270/Q2G161DC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50141145
PNG
(But-2-ynoic acid [4-(3-chloro-4-fluoro-phenylamino...)
Show SMILES CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C20H12ClFN4O/c1-2-3-19(27)25-13-5-7-18-15(8-13)20(12(10-23)11-24-18)26-14-4-6-17(22)16(21)9-14/h4-9,11H,1H3,(H,24,26)(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor kinase autophosphorylation


Bioorg Med Chem Lett 14: 1411-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.034
BindingDB Entry DOI: 10.7270/Q2G161DC
More data for this
Ligand-Target Pair