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BDBM50366079 CHEMBL1956885

SMILES: Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3)[nH]c2n1

InChI Key: InChIKey=YHWUBFBUCSKQSU-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 = 50366079   
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))
BDBM50366079
PNG
(CHEMBL1956885)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3)[nH]c2n1
Show InChI InChI=1S/C19H15BrClN5/c20-12-2-1-3-14(9-12)23-17-16-10-15(24-18(16)26-19(22)25-17)8-11-4-6-13(21)7-5-11/h1-7,9-10H,8H2,(H4,22,23,24,25,26)
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Article
PubMed
n/an/a 1.74E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50366079
PNG
(CHEMBL1956885)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3)[nH]c2n1
Show InChI InChI=1S/C19H15BrClN5/c20-12-2-1-3-14(9-12)23-17-16-10-15(24-18(16)26-19(22)25-17)8-11-4-6-13(21)7-5-11/h1-7,9-10H,8H2,(H4,22,23,24,25,26)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50366079
PNG
(CHEMBL1956885)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3)[nH]c2n1
Show InChI InChI=1S/C19H15BrClN5/c20-12-2-1-3-14(9-12)23-17-16-10-15(24-18(16)26-19(22)25-17)8-11-4-6-13(21)7-5-11/h1-7,9-10H,8H2,(H4,22,23,24,25,26)
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NCI pathway
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Article
PubMed
n/an/a 8.28E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50366079
PNG
(CHEMBL1956885)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3)[nH]c2n1
Show InChI InChI=1S/C19H15BrClN5/c20-12-2-1-3-14(9-12)23-17-16-10-15(24-18(16)26-19(22)25-17)8-11-4-6-13(21)7-5-11/h1-7,9-10H,8H2,(H4,22,23,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


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Article
PubMed
n/an/a 4.27E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair