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BDBM50141146 But-2-ynoic acid [5-(3-chloro-4-fluoro-phenylamino)-6-cyano-[1,8]naphthyridin-3-yl]-amide::CHEMBL287022

SMILES: CC#CC(=O)Nc1cnc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

InChI Key: InChIKey=PWVHLRJTWXCLHE-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 = 50141146   
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))
BDBM50141146
PNG
(But-2-ynoic acid [5-(3-chloro-4-fluoro-phenylamino...)
Show SMILES CC#CC(=O)Nc1cnc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C19H11ClFN5O/c1-2-3-17(27)25-13-6-14-18(11(8-22)9-23-19(14)24-10-13)26-12-4-5-16(21)15(20)7-12/h4-7,9-10H,1H3,(H,25,27)(H,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.76E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor


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))
BDBM50141146
PNG
(But-2-ynoic acid [5-(3-chloro-4-fluoro-phenylamino...)
Show SMILES CC#CC(=O)Nc1cnc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C19H11ClFN5O/c1-2-3-17(27)25-13-6-14-18(11(8-22)9-23-19(14)24-10-13)26-12-4-5-16(21)15(20)7-12/h4-7,9-10H,1H3,(H,25,27)(H,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor


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