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BDBM50202760 4-(3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline::CHEMBL391437

SMILES: c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12

InChI Key: InChIKey=UBDAMLJKQGPQFB-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50202760   
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))
BDBM50202760
PNG
(4-(3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
Show InChI InChI=1S/C22H14N6/c1-2-6-15-13(5-1)10-23-12-17(15)14-9-16-20(27-28-21(16)24-11-14)22-25-18-7-3-4-8-19(18)26-22/h1-12H,(H,25,26)(H,24,27,28)
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Article
PubMed
n/an/a 1.46E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L. L. C.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 17: 1243-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.031
BindingDB Entry DOI: 10.7270/Q20Z72Z9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50202760
PNG
(4-(3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
Show InChI InChI=1S/C22H14N6/c1-2-6-15-13(5-1)10-23-12-17(15)14-9-16-20(27-28-21(16)24-11-14)22-25-18-7-3-4-8-19(18)26-22/h1-12H,(H,25,26)(H,24,27,28)
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Article
PubMed
n/an/a 1.46E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50202760
PNG
(4-(3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
Show InChI InChI=1S/C22H14N6/c1-2-6-15-13(5-1)10-23-12-17(15)14-9-16-20(27-28-21(16)24-11-14)22-25-18-7-3-4-8-19(18)26-22/h1-12H,(H,25,26)(H,24,27,28)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50202760
PNG
(4-(3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
Show InChI InChI=1S/C22H14N6/c1-2-6-15-13(5-1)10-23-12-17(15)14-9-16-20(27-28-21(16)24-11-14)22-25-18-7-3-4-8-19(18)26-22/h1-12H,(H,25,26)(H,24,27,28)
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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of HER2


Bioorg Med Chem Lett 17: 4297-302 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ
More data for this
Ligand-Target Pair