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BDBM3540 4-N-(3-bromophenyl)-7-N-methylquinazoline-4,7-diamine::4-[(3-Bromophenyl)amino]-7-(methylamino)quinazoline::CHEMBL92812::PD153035 Analog::PD153035 Analog 40

SMILES: CNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1

InChI Key: InChIKey=NJCGPPRBJLJTPA-UHFFFAOYSA-N

Data: 3 IC50  1 Kd

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 = 3540   
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))
BDBM3540
PNG
(4-N-(3-bromophenyl)-7-N-methylquinazoline-4,7-diam...)
Show SMILES CNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C15H13BrN4/c1-17-11-5-6-13-14(8-11)18-9-19-15(13)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Ephrin type-B receptor 2


(Homo sapiens (Human))
BDBM3540
PNG
(4-N-(3-bromophenyl)-7-N-methylquinazoline-4,7-diam...)
Show SMILES CNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C15H13BrN4/c1-17-11-5-6-13-14(8-11)18-9-19-15(13)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
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Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Protana Inc.

Curated by ChEMBL


Assay Description
Inhibition of EPH receptor B2 using ELISA


J Med Chem 48: 3221-30 (2005)


Article DOI: 10.1021/jm0492204
BindingDB Entry DOI: 10.7270/Q2DF6QRN
More data for this
Ligand-Target Pair
Ephrin type-B receptor 2


(Homo sapiens (Human))
BDBM3540
PNG
(4-N-(3-bromophenyl)-7-N-methylquinazoline-4,7-diam...)
Show SMILES CNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C15H13BrN4/c1-17-11-5-6-13-14(8-11)18-9-19-15(13)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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Article
PubMed
n/an/an/a 2.19E+4n/an/an/an/an/a



Protana Inc.

Curated by ChEMBL


Assay Description
Equilibrium binding constant for EPH receptor B2


J Med Chem 48: 3221-30 (2005)


Article DOI: 10.1021/jm0492204
BindingDB Entry DOI: 10.7270/Q2DF6QRN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3540
PNG
(4-N-(3-bromophenyl)-7-N-methylquinazoline-4,7-diam...)
Show SMILES CNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C15H13BrN4/c1-17-11-5-6-13-14(8-11)18-9-19-15(13)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair