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BDBM50168419 4-(4-Bromo-3-methoxycarbamoyl-phenylamino)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester::CHEMBL193256::ethyl 4-(4-bromo-3-(methoxycarbamoyl)phenylamino)-5-isopropylpyrrolo[1,2-f][1,2,4]triazine-6-carboxylate

SMILES: CCOC(=O)c1cn2ncnc(Nc3ccc(Br)c(c3)C(=O)NOC)c2c1C(C)C

InChI Key: InChIKey=AYJHNMSIZGHINI-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50168419   
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))
BDBM50168419
PNG
(4-(4-Bromo-3-methoxycarbamoyl-phenylamino)-5-isopr...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(Br)c(c3)C(=O)NOC)c2c1C(C)C
Show InChI InChI=1S/C20H22BrN5O4/c1-5-30-20(28)14-9-26-17(16(14)11(2)3)18(22-10-23-26)24-12-6-7-15(21)13(8-12)19(27)25-29-4/h6-11H,5H2,1-4H3,(H,25,27)(H,22,23,24)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Shanghai Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 2126-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.089
BindingDB Entry DOI: 10.7270/Q2S1839D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168419
PNG
(4-(4-Bromo-3-methoxycarbamoyl-phenylamino)-5-isopr...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(Br)c(c3)C(=O)NOC)c2c1C(C)C
Show InChI InChI=1S/C20H22BrN5O4/c1-5-30-20(28)14-9-26-17(16(14)11(2)3)18(22-10-23-26)24-12-6-7-15(21)13(8-12)19(27)25-29-4/h6-11H,5H2,1-4H3,(H,25,27)(H,22,23,24)
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 270n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1)


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair