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BDBM50375665 CHEMBL261238

SMILES: CN(c1cccnc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N

InChI Key: InChIKey=CUIQYXHABOOZFA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50375665   
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))
BDBM50375665
PNG
(CHEMBL261238)
Show SMILES CN(c1cccnc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C21H14ClFN6/c1-29(15-3-2-6-25-11-15)20-8-16-19(12-27-20)26-10-13(9-24)21(16)28-14-4-5-18(23)17(22)7-14/h2-8,10-12H,1H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Tpl2 kinase


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50375665
PNG
(CHEMBL261238)
Show SMILES CN(c1cccnc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C21H14ClFN6/c1-29(15-3-2-6-25-11-15)20-8-16-19(12-27-20)26-10-13(9-24)21(16)28-14-4-5-18(23)17(22)7-14/h2-8,10-12H,1H3,(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+8n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Src


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50375665
PNG
(CHEMBL261238)
Show SMILES CN(c1cccnc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C21H14ClFN6/c1-29(15-3-2-6-25-11-15)20-8-16-19(12-27-20)26-10-13(9-24)21(16)28-14-4-5-18(23)17(22)7-14/h2-8,10-12H,1H3,(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50375665
PNG
(CHEMBL261238)
Show SMILES CN(c1cccnc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C21H14ClFN6/c1-29(15-3-2-6-25-11-15)20-8-16-19(12-27-20)26-10-13(9-24)21(16)28-14-4-5-18(23)17(22)7-14/h2-8,10-12H,1H3,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+8n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of MK2


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair