BindingDB logo
myBDB logout

BDBM50183861 1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)azetidine-2-carboxamide::CHEMBL207246

SMILES: COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O

InChI Key: InChIKey=JUVXXGGZNUXNLD-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50183861   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of JNK


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of PKA


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of SAP kinase


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of MAPK


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of SGK


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair