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BDBM50525496 CHEMBL4449189

SMILES: Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1

InChI Key: InChIKey=PSZMYZPRCFMLOG-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50525496   
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))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of c-kit (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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 150n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PDGFR beta (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
PDB
MMDB

NCI pathway
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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of RAF1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
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))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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 130n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
More data for this
Ligand-Target Pair