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BDBM50500367 CHEMBL3747226

SMILES: FC(F)(F)c1cccc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)c1

InChI Key: InChIKey=FKMYXQCCIDUXCG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50500367   
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))
BDBM50500367
PNG
(CHEMBL3747226)
Show SMILES FC(F)(F)c1cccc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)c1
Show InChI InChI=1S/C23H18F3N5O2/c24-23(25,26)15-2-1-3-16(11-15)30-22(32)31-9-7-14-10-17(4-5-20(14)31)33-21-18-6-8-27-12-19(18)28-13-29-21/h1-5,7,9-11,13,27H,6,8,12H2,(H,30,32)
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 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused KDR (unknown origin) expressed in mouse BaF3 cells using poly(Glu,Tyr) as substrate after 10 mins by scintillation counting a...


J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50500367
PNG
(CHEMBL3747226)
Show SMILES FC(F)(F)c1cccc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)c1
Show InChI InChI=1S/C23H18F3N5O2/c24-23(25,26)15-2-1-3-16(11-15)30-22(32)31-9-7-14-10-17(4-5-20(14)31)33-21-18-6-8-27-12-19(18)28-13-29-21/h1-5,7,9-11,13,27H,6,8,12H2,(H,30,32)
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 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50500367
PNG
(CHEMBL3747226)
Show SMILES FC(F)(F)c1cccc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)c1
Show InChI InChI=1S/C23H18F3N5O2/c24-23(25,26)15-2-1-3-16(11-15)30-22(32)31-9-7-14-10-17(4-5-20(14)31)33-21-18-6-8-27-12-19(18)28-13-29-21/h1-5,7,9-11,13,27H,6,8,12H2,(H,30,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by automated Q-patch assay


J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair