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BDBM50362977 CHEMBL1945498

SMILES: CN(C)CCCc1ccc(c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1)C(F)(F)F

InChI Key: InChIKey=IHOWKSDIGLFLPH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50362977   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362977
PNG
(CHEMBL1945498)
Show SMILES CN(C)CCCc1ccc(c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1)C(F)(F)F
Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-5-8-18(24(26,27)28)20(10-14)31-23-29-13-15-11-21(34)30-19-12-16(25)6-7-17(19)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,30,34)(H,29,31,32)
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50362977
PNG
(CHEMBL1945498)
Show SMILES CN(C)CCCc1ccc(c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1)C(F)(F)F
Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-5-8-18(24(26,27)28)20(10-14)31-23-29-13-15-11-21(34)30-19-12-16(25)6-7-17(19)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,30,34)(H,29,31,32)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50362977
PNG
(CHEMBL1945498)
Show SMILES CN(C)CCCc1ccc(c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1)C(F)(F)F
Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-5-8-18(24(26,27)28)20(10-14)31-23-29-13-15-11-21(34)30-19-12-16(25)6-7-17(19)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,30,34)(H,29,31,32)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362977
PNG
(CHEMBL1945498)
Show SMILES CN(C)CCCc1ccc(c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1)C(F)(F)F
Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-5-8-18(24(26,27)28)20(10-14)31-23-29-13-15-11-21(34)30-19-12-16(25)6-7-17(19)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,30,34)(H,29,31,32)
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n/an/a 550n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRb


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362977
PNG
(CHEMBL1945498)
Show SMILES CN(C)CCCc1ccc(c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1)C(F)(F)F
Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-5-8-18(24(26,27)28)20(10-14)31-23-29-13-15-11-21(34)30-19-12-16(25)6-7-17(19)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,30,34)(H,29,31,32)
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n/an/a 310n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362977
PNG
(CHEMBL1945498)
Show SMILES CN(C)CCCc1ccc(c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1)C(F)(F)F
Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-5-8-18(24(26,27)28)20(10-14)31-23-29-13-15-11-21(34)30-19-12-16(25)6-7-17(19)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,30,34)(H,29,31,32)
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair