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BDBM50192479 (5-chloro-2-fluoro-phenyl)-(7,8-dimethoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-yl)-amine::CHEMBL214753

SMILES: COc1cc2CNc3c(Nc4cc(Cl)ccc4F)ncnc3Oc2cc1OC

InChI Key: InChIKey=WCMSKFSDZXTGKD-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50192479   
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))
BDBM50192479
PNG
((5-chloro-2-fluoro-phenyl)-(7,8-dimethoxy-10,11-di...)
Show SMILES COc1cc2CNc3c(Nc4cc(Cl)ccc4F)ncnc3Oc2cc1OC
Show InChI InChI=1S/C19H16ClFN4O3/c1-26-15-5-10-8-22-17-18(25-13-6-11(20)3-4-12(13)21)23-9-24-19(17)28-14(10)7-16(15)27-2/h3-7,9,22H,8H2,1-2H3,(H,23,24,25)
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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR measured as pGAT-biotin peptide phosphorylation in presence of 2.0 uM ATP by HTRF assay


Bioorg Med Chem Lett 16: 5102-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.031
BindingDB Entry DOI: 10.7270/Q2K9374T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50192479
PNG
((5-chloro-2-fluoro-phenyl)-(7,8-dimethoxy-10,11-di...)
Show SMILES COc1cc2CNc3c(Nc4cc(Cl)ccc4F)ncnc3Oc2cc1OC
Show InChI InChI=1S/C19H16ClFN4O3/c1-26-15-5-10-8-22-17-18(25-13-6-11(20)3-4-12(13)21)23-9-24-19(17)28-14(10)7-16(15)27-2/h3-7,9,22H,8H2,1-2H3,(H,23,24,25)
PDB
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in DiFi cells by ELISA


Bioorg Med Chem Lett 16: 5102-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.031
BindingDB Entry DOI: 10.7270/Q2K9374T
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50192479
PNG
((5-chloro-2-fluoro-phenyl)-(7,8-dimethoxy-10,11-di...)
Show SMILES COc1cc2CNc3c(Nc4cc(Cl)ccc4F)ncnc3Oc2cc1OC
Show InChI InChI=1S/C19H16ClFN4O3/c1-26-15-5-10-8-22-17-18(25-13-6-11(20)3-4-12(13)21)23-9-24-19(17)28-14(10)7-16(15)27-2/h3-7,9,22H,8H2,1-2H3,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibition of KDR measured as pGAT-biotin peptide phosphorylation by HTRF assay


Bioorg Med Chem Lett 16: 5102-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.031
BindingDB Entry DOI: 10.7270/Q2K9374T
More data for this
Ligand-Target Pair