BindingDB logo
myBDB logout

BDBM50318184 CHEMBL1095466::N-(3-bromophenyl)-6-(2-methylbenzyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

SMILES: Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)ncnc2[nH]1

InChI Key: InChIKey=YBAKNSGHVALZHX-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 = 50318184   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318184
PNG
(CHEMBL1095466 | N-(3-bromophenyl)-6-(2-methylbenzy...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)ncnc2[nH]1
Show InChI InChI=1S/C20H17BrN4/c1-13-5-2-3-6-14(13)9-17-11-18-19(22-12-23-20(18)25-17)24-16-8-4-7-15(21)10-16/h2-8,10-12H,9H2,1H3,(H2,22,23,24,25)
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 2.72E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50318184
PNG
(CHEMBL1095466 | N-(3-bromophenyl)-6-(2-methylbenzy...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)ncnc2[nH]1
Show InChI InChI=1S/C20H17BrN4/c1-13-5-2-3-6-14(13)9-17-11-18-19(22-12-23-20(18)25-17)24-16-8-4-7-15(21)10-16/h2-8,10-12H,9H2,1H3,(H2,22,23,24,25)
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 1.82E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50318184
PNG
(CHEMBL1095466 | N-(3-bromophenyl)-6-(2-methylbenzy...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)ncnc2[nH]1
Show InChI InChI=1S/C20H17BrN4/c1-13-5-2-3-6-14(13)9-17-11-18-19(22-12-23-20(18)25-17)24-16-8-4-7-15(21)10-16/h2-8,10-12H,9H2,1H3,(H2,22,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 phosphorylation in human A498 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50318184
PNG
(CHEMBL1095466 | N-(3-bromophenyl)-6-(2-methylbenzy...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)ncnc2[nH]1
Show InChI InChI=1S/C20H17BrN4/c1-13-5-2-3-6-14(13)9-17-11-18-19(22-12-23-20(18)25-17)24-16-8-4-7-15(21)10-16/h2-8,10-12H,9H2,1H3,(H2,22,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair