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BDBM50263515 2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-benzo[d]imidazol-1-yl)pyrimidin-4-ylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)ethanol::CHEMBL447107

SMILES: Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1

InChI Key: InChIKey=ZFGRQAXIHZXQBZ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50263515   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50263515
PNG
(2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-be...)
Show SMILES Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)37-29-35-22-8-3-4-9-23(22)40(29)26-16-24(31-18-32-26)36-25-17-27(34-20(2)33-25)39-12-10-38(11-13-39)14-15-41/h3-9,16-18,41H,10-15H2,1-2H3,(H,35,37)(H,31,32,33,34,36)
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PubMed
n/an/a 7n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of TEL fused Lck (unknown origin)-mediated proliferation of TEL-Lck transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase as...


Bioorg Med Chem Lett 18: 5618-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.104
BindingDB Entry DOI: 10.7270/Q2DN44WQ
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50263515
PNG
(2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-be...)
Show SMILES Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)37-29-35-22-8-3-4-9-23(22)40(29)26-16-24(31-18-32-26)36-25-17-27(34-20(2)33-25)39-12-10-38(11-13-39)14-15-41/h3-9,16-18,41H,10-15H2,1-2H3,(H,35,37)(H,31,32,33,34,36)
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Article
PubMed
n/an/a 2.35E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of TEL fused InsR-mediated proliferation of TEL-InsR transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay


Bioorg Med Chem Lett 18: 5618-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.104
BindingDB Entry DOI: 10.7270/Q2DN44WQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50263515
PNG
(2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-be...)
Show SMILES Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)37-29-35-22-8-3-4-9-23(22)40(29)26-16-24(31-18-32-26)36-25-17-27(34-20(2)33-25)39-12-10-38(11-13-39)14-15-41/h3-9,16-18,41H,10-15H2,1-2H3,(H,35,37)(H,31,32,33,34,36)
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n/an/a 356n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of TEL fused KDR-mediated proliferation of TEL-KDR transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay


Bioorg Med Chem Lett 18: 5618-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.104
BindingDB Entry DOI: 10.7270/Q2DN44WQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50263515
PNG
(2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-be...)
Show SMILES Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)37-29-35-22-8-3-4-9-23(22)40(29)26-16-24(31-18-32-26)36-25-17-27(34-20(2)33-25)39-12-10-38(11-13-39)14-15-41/h3-9,16-18,41H,10-15H2,1-2H3,(H,35,37)(H,31,32,33,34,36)
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of TEL fused Lyn-mediated proliferation of TEL-Lyn transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay


Bioorg Med Chem Lett 18: 5618-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.104
BindingDB Entry DOI: 10.7270/Q2DN44WQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50263515
PNG
(2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-be...)
Show SMILES Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)37-29-35-22-8-3-4-9-23(22)40(29)26-16-24(31-18-32-26)36-25-17-27(34-20(2)33-25)39-12-10-38(11-13-39)14-15-41/h3-9,16-18,41H,10-15H2,1-2H3,(H,35,37)(H,31,32,33,34,36)
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of TEL fused Src-mediated proliferation of TEL-Src transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay


Bioorg Med Chem Lett 18: 5618-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.104
BindingDB Entry DOI: 10.7270/Q2DN44WQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50263515
PNG
(2-(4-(6-(6-(2-(2-chloro-6-methylphenylamino)-1H-be...)
Show SMILES Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H31ClN10O/c1-19-6-5-7-21(30)28(19)37-29-35-22-8-3-4-9-23(22)40(29)26-16-24(31-18-32-26)36-25-17-27(34-20(2)33-25)39-12-10-38(11-13-39)14-15-41/h3-9,16-18,41H,10-15H2,1-2H3,(H,35,37)(H,31,32,33,34,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of TEL fused Lck-mediated proliferation of TEL-Lck transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay


Bioorg Med Chem Lett 18: 5618-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.104
BindingDB Entry DOI: 10.7270/Q2DN44WQ
More data for this
Ligand-Target Pair