new BindingDB logo
myBDB logout

BDBM50449315 CHEMBL3125863

SMILES: Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F

InChI Key: InChIKey=NSBOINOQPZJFJR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50449315   
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
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.84E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair