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BDBM5893 3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea::CHEMBL410711::isoindolinone analog 4e

SMILES: FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1

InChI Key: InChIKey=HVLQSTLIXZZWIR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 5893   
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))
BDBM5893
PNG
(3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
Show InChI InChI=1S/C22H16F3N3O2/c23-22(24,25)14-3-1-4-16(11-14)28-21(30)27-15-9-7-13(8-10-15)17-5-2-6-18-19(17)12-26-20(18)29/h1-11H,12H2,(H,26,29)(H2,27,28,30)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4502-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.009
BindingDB Entry DOI: 10.7270/Q2K35VQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5893
PNG
(3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
Show InChI InChI=1S/C22H16F3N3O2/c23-22(24,25)14-3-1-4-16(11-14)28-21(30)27-15-9-7-13(8-10-15)17-5-2-6-18-19(17)12-26-20(18)29/h1-11H,12H2,(H,26,29)(H2,27,28,30)
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 7n/an/an/an/a7.422



Abbott Laboratories



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase and biotinylated poly-Glu-Ala-Tyr substrate. HTRF is based on the proximity of a...


Bioorg Med Chem Lett 14: 4505-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.041
BindingDB Entry DOI: 10.7270/Q2B27SH9
More data for this
Ligand-Target Pair