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BDBM50432399 CHEMBL2349006

SMILES: Fc1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

InChI Key: InChIKey=YFIFSHPCXQZADK-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50432399   
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))
BDBM50432399
PNG
(CHEMBL2349006)
Show SMILES Fc1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1
Show InChI InChI=1S/C23H18FN5O3/c24-16-4-1-3-15(11-16)23(31)25-17-5-2-6-18(12-17)32-21-10-9-20-26-19(13-29(20)28-21)27-22(30)14-7-8-14/h1-6,9-14H,7-8H2,(H,25,31)(H,27,30)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50432399
PNG
(CHEMBL2349006)
Show SMILES Fc1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1
Show InChI InChI=1S/C23H18FN5O3/c24-16-4-1-3-15(11-16)23(31)25-17-5-2-6-18(12-17)32-21-10-9-20-26-19(13-29(20)28-21)27-22(30)14-7-8-14/h1-6,9-14H,7-8H2,(H,25,31)(H,27,30)
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 650n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of B-raf (unknown origin)


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair