BindingDB logo
myBDB logout

BDBM50356877 CHEMBL1614710

SMILES: FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1

InChI Key: InChIKey=FGTCROZDHDSNIO-UHFFFAOYSA-N

Data: 1 KI  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 7 hits for monomerid = 50356877   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50356877
PNG
(CHEMBL1614710)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.40E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged CYP3A4 expressed in Escherichia coli TOPP3 using BFC as substrate after 15 mins by double reciprocal plot analysis in ...


Drug Metab Dispos 39: 345-50 (2011)


Article DOI: 10.1124/dmd.110.034074
BindingDB Entry DOI: 10.7270/Q2C82C1J
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50356877
PNG
(CHEMBL1614710)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 21: 6495-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.070
BindingDB Entry DOI: 10.7270/Q2445MW7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50356877
PNG
(CHEMBL1614710)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 55: 10797-822 (2012)


Article DOI: 10.1021/jm301085w
BindingDB Entry DOI: 10.7270/Q2BP03XZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50356877
PNG
(CHEMBL1614710)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of c-Raf


J Med Chem 55: 10797-822 (2012)


Article DOI: 10.1021/jm301085w
BindingDB Entry DOI: 10.7270/Q2BP03XZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50356877
PNG
(CHEMBL1614710)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of c-Kit


J Med Chem 55: 10797-822 (2012)


Article DOI: 10.1021/jm301085w
BindingDB Entry DOI: 10.7270/Q2BP03XZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50356877
PNG
(CHEMBL1614710)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of c-Kit


Bioorg Med Chem Lett 21: 6495-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.070
BindingDB Entry DOI: 10.7270/Q2445MW7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50356877
PNG
(CHEMBL1614710)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 55: 10797-822 (2012)


Article DOI: 10.1021/jm301085w
BindingDB Entry DOI: 10.7270/Q2BP03XZ
More data for this
Ligand-Target Pair