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BDBM99595 US8501936, 94

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3cccc(c3)S(C)(=O)=O)nn12

InChI Key: InChIKey=ODDLHEONBQLYGR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 99595   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM99595
PNG
(US8501936, 94)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3cccc(c3)S(C)(=O)=O)nn12
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-11-9-14(10-12-16)18-7-4-8-19-22-20(23-24(18)19)21-15-5-3-6-17(13-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Cephalon Inc

US Patent


Assay Description
The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...


US Patent US8501936 (2013)


BindingDB Entry DOI: 10.7270/Q22Z1455
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99595
PNG
(US8501936, 94)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3cccc(c3)S(C)(=O)=O)nn12
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-11-9-14(10-12-16)18-7-4-8-19-22-20(23-24(18)19)21-15-5-3-6-17(13-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 719n/an/an/an/an/an/a



Cephalon Inc

US Patent


Assay Description
The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...


US Patent US8501936 (2013)


BindingDB Entry DOI: 10.7270/Q22Z1455
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99595
PNG
(US8501936, 94)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccc2nc(Nc3cccc(c3)S(C)(=O)=O)nn12
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-11-9-14(10-12-16)18-7-4-8-19-22-20(23-24(18)19)21-15-5-3-6-17(13-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.30n/an/an/an/an/an/a



Cephalon Inc

US Patent


Assay Description
The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...


US Patent US8501936 (2013)


BindingDB Entry DOI: 10.7270/Q22Z1455
More data for this
Ligand-Target Pair