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BDBM50271851 CHEMBL519147::N4-(4-Chlorophenyl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d ]pyrimidine-2,4-diamine

SMILES: Nc1nc(Nc2ccc(Cl)cc2)c2cc(CCc3ccccc3)[nH]c2n1

InChI Key: InChIKey=ATKPRIDFHGQMAQ-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 = 50271851   
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))
BDBM50271851
PNG
(CHEMBL519147 | N4-(4-Chlorophenyl)-6-(2-phenylethy...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H18ClN5/c21-14-7-10-15(11-8-14)23-18-17-12-16(24-19(17)26-20(22)25-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12H,6,9H2,(H4,22,23,24,25,26)
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Article
PubMed
n/an/a 3.18E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50271851
PNG
(CHEMBL519147 | N4-(4-Chlorophenyl)-6-(2-phenylethy...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H18ClN5/c21-14-7-10-15(11-8-14)23-18-17-12-16(24-19(17)26-20(22)25-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12H,6,9H2,(H4,22,23,24,25,26)
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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50271851
PNG
(CHEMBL519147 | N4-(4-Chlorophenyl)-6-(2-phenylethy...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H18ClN5/c21-14-7-10-15(11-8-14)23-18-17-12-16(24-19(17)26-20(22)25-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12H,6,9H2,(H4,22,23,24,25,26)
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50271851
PNG
(CHEMBL519147 | N4-(4-Chlorophenyl)-6-(2-phenylethy...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H18ClN5/c21-14-7-10-15(11-8-14)23-18-17-12-16(24-19(17)26-20(22)25-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12H,6,9H2,(H4,22,23,24,25,26)
PDB
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair