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BDBM50362980 CHEMBL1945172

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

InChI Key: InChIKey=GGHUWFIXZDQNHR-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 = 50362980   
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))
BDBM50362980
PNG
(CHEMBL1945172)
Show SMILES CN(C)CCCc1ccc(Cl)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)9-3-4-14-5-8-18(25)20(10-14)28-23-26-13-15-11-21(31)27-19-12-16(24)6-7-17(19)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,31)(H,26,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 720n/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))
BDBM50362980
PNG
(CHEMBL1945172)
Show SMILES CN(C)CCCc1ccc(Cl)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)9-3-4-14-5-8-18(25)20(10-14)28-23-26-13-15-11-21(31)27-19-12-16(24)6-7-17(19)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,31)(H,26,28,29)
PDB
MMDB

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n/an/a 2.80E+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))
BDBM50362980
PNG
(CHEMBL1945172)
Show SMILES CN(C)CCCc1ccc(Cl)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)9-3-4-14-5-8-18(25)20(10-14)28-23-26-13-15-11-21(31)27-19-12-16(24)6-7-17(19)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,31)(H,26,28,29)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/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))
BDBM50362980
PNG
(CHEMBL1945172)
Show SMILES CN(C)CCCc1ccc(Cl)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)9-3-4-14-5-8-18(25)20(10-14)28-23-26-13-15-11-21(31)27-19-12-16(24)6-7-17(19)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,31)(H,26,28,29)
PDB
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n/an/a 93n/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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50362980
PNG
(CHEMBL1945172)
Show SMILES CN(C)CCCc1ccc(Cl)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)9-3-4-14-5-8-18(25)20(10-14)28-23-26-13-15-11-21(31)27-19-12-16(24)6-7-17(19)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,31)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50362980
PNG
(CHEMBL1945172)
Show SMILES CN(C)CCCc1ccc(Cl)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1
Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)9-3-4-14-5-8-18(25)20(10-14)28-23-26-13-15-11-21(31)27-19-12-16(24)6-7-17(19)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,27,31)(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 970n/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