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BDBM50372157 CHEMBL257292

SMILES: Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(N)c12

InChI Key: InChIKey=NXYRUIDMZGFWFN-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 = 50372157   
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))
BDBM50372157
PNG
(CHEMBL257292)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(N)c12
Show InChI InChI=1S/C20H18N6O/c1-12-4-2-3-5-16(12)24-20(27)23-14-8-6-13(7-9-14)15-10-11-22-19-17(15)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372157
PNG
(CHEMBL257292)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(N)c12
Show InChI InChI=1S/C20H18N6O/c1-12-4-2-3-5-16(12)24-20(27)23-14-8-6-13(7-9-14)15-10-11-22-19-17(15)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372157
PNG
(CHEMBL257292)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(N)c12
Show InChI InChI=1S/C20H18N6O/c1-12-4-2-3-5-16(12)24-20(27)23-14-8-6-13(7-9-14)15-10-11-22-19-17(15)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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Article
n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR (unknown origin) in cell-based assay


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372157
PNG
(CHEMBL257292)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(N)c12
Show InChI InChI=1S/C20H18N6O/c1-12-4-2-3-5-16(12)24-20(27)23-14-8-6-13(7-9-14)15-10-11-22-19-17(15)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
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Article
n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR kinase activity (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372157
PNG
(CHEMBL257292)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(N)c12
Show InChI InChI=1S/C20H18N6O/c1-12-4-2-3-5-16(12)24-20(27)23-14-8-6-13(7-9-14)15-10-11-22-19-17(15)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
PDB
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Article
n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR kinase activity (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372157
PNG
(CHEMBL257292)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(N)c12
Show InChI InChI=1S/C20H18N6O/c1-12-4-2-3-5-16(12)24-20(27)23-14-8-6-13(7-9-14)15-10-11-22-19-17(15)18(21)25-26-19/h2-11H,1H3,(H2,23,24,27)(H3,21,22,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem

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Article
n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR (unknown origin) in cell-based assay


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair