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BDBM50349007 CHEMBL1807472

SMILES: CCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1

InChI Key: InChIKey=SZOHDKHNBGVOTF-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50349007   
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 1


(Homo sapiens (Human))
BDBM50349007
PNG
(CHEMBL1807472)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
Show InChI InChI=1S/C23H28N6O3S/c1-3-33(31,32)27-19-6-4-5-18(15-19)21-16-22(26-25-21)24-23(30)17-7-9-20(10-8-17)29-13-11-28(2)12-14-29/h4-10,15-16,27H,3,11-14H2,1-2H3,(H2,24,25,26,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR1 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349007
PNG
(CHEMBL1807472)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
Show InChI InChI=1S/C23H28N6O3S/c1-3-33(31,32)27-19-6-4-5-18(15-19)21-16-22(26-25-21)24-23(30)17-7-9-20(10-8-17)29-13-11-28(2)12-14-29/h4-10,15-16,27H,3,11-14H2,1-2H3,(H2,24,25,26,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349007
PNG
(CHEMBL1807472)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
Show InChI InChI=1S/C23H28N6O3S/c1-3-33(31,32)27-19-6-4-5-18(15-19)21-16-22(26-25-21)24-23(30)17-7-9-20(10-8-17)29-13-11-28(2)12-14-29/h4-10,15-16,27H,3,11-14H2,1-2H3,(H2,24,25,26,30)
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>1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora A expressed in Sf9 insect cells after 90 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50349007
PNG
(CHEMBL1807472)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
Show InChI InChI=1S/C23H28N6O3S/c1-3-33(31,32)27-19-6-4-5-18(15-19)21-16-22(26-25-21)24-23(30)17-7-9-20(10-8-17)29-13-11-28(2)12-14-29/h4-10,15-16,27H,3,11-14H2,1-2H3,(H2,24,25,26,30)
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>1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair