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BDBM50198805 5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[e][1,2,4]triazin-3-amine::7-phenyl-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-::CHEMBL230685::US8481536, 524::US8481536, 615

SMILES: Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1

InChI Key: InChIKey=ZUMICAGHFTUJTI-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50198805   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
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US Patent
n/an/a 341n/an/an/an/an/a25



TargeGen, Inc.

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
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US Patent
n/an/a 111n/an/an/an/an/a25



TargeGen, Inc.

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
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US Patent
n/an/a 391n/an/an/an/an/a37



TargeGen, Inc.

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



TargeGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of YES


J Med Chem 51: 1546-59 (2008)


Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
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Article
PubMed
n/an/a 530n/an/an/an/an/an/a



TargeGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 51: 1546-59 (2008)


Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
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Article
PubMed
n/an/a 340n/an/an/an/an/an/a



TargeGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


J Med Chem 51: 1546-59 (2008)


Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
PDB
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 341n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW
More data for this
Ligand-Target Pair