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BDBM50451034 CHEMBL4208998

SMILES: CNC(=O)c1cc(Oc2ccc(cc2)C2=NNC(C2)c2ccc(OC)cc2)ccn1

InChI Key: InChIKey=AWMXNRTWEPBRNZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50451034   
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))
BDBM50451034
PNG
(CHEMBL4208998)
Show SMILES CNC(=O)c1cc(Oc2ccc(cc2)C2=NNC(C2)c2ccc(OC)cc2)ccn1 |t:15|
Show InChI InChI=1S/C23H22N4O3/c1-24-23(28)22-13-19(11-12-25-22)30-18-9-5-16(6-10-18)21-14-20(26-27-21)15-3-7-17(29-2)8-4-15/h3-13,20,26H,14H2,1-2H3,(H,24,28)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Jiangxi Science & Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay


Bioorg Med Chem 25: 5754-5763 (2017)


Article DOI: 10.1016/j.bmc.2017.09.003
BindingDB Entry DOI: 10.7270/Q2057JGW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50451034
PNG
(CHEMBL4208998)
Show SMILES CNC(=O)c1cc(Oc2ccc(cc2)C2=NNC(C2)c2ccc(OC)cc2)ccn1 |t:15|
Show InChI InChI=1S/C23H22N4O3/c1-24-23(28)22-13-19(11-12-25-22)30-18-9-5-16(6-10-18)21-14-20(26-27-21)15-3-7-17(29-2)8-4-15/h3-13,20,26H,14H2,1-2H3,(H,24,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Jiangxi Science & Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay


Bioorg Med Chem 25: 5754-5763 (2017)


Article DOI: 10.1016/j.bmc.2017.09.003
BindingDB Entry DOI: 10.7270/Q2057JGW
More data for this
Ligand-Target Pair