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SMILES: CC(C)n1nc(-c2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12

InChI Key: InChIKey=RPPXTNCWBNBGBL-UHFFFAOYSA-N

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 4 hits for monomerid = 234843   
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
Proto-oncogene tyrosine-protein kinase Src [251-533]


(Gallus gallus (Chicken))
BDBM234843
PNG
(US9353116, 3)
Show SMILES CC(C)n1nc(-c2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18N6O2S/c1-4-25(23,24)21-12-7-5-6-11(8-12)14-13-15(17)18-9-19-16(13)22(20-14)10(2)3/h4-10,21H,1H2,2-3H3,(H2,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/a8.0n/a



The Regents of the University of California

US Patent


Assay Description
In vitro kinase assays for c-Src variants were performed in 50 mM Tris (pH 8.0), 10 mM MgCl2 and 1 mg/mL BSA. When obtaining kinetic parameters (kcat...


US Patent US9353116 (2016)


BindingDB Entry DOI: 10.7270/Q2V123N7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,V323S,T338C]


(Gallus gallus (Chicken))
BDBM234843
PNG
(US9353116, 3)
Show SMILES CC(C)n1nc(-c2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18N6O2S/c1-4-25(23,24)21-12-7-5-6-11(8-12)14-13-15(17)18-9-19-16(13)22(20-14)10(2)3/h4-10,21H,1H2,2-3H3,(H2,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 131n/an/an/an/a8.0n/a



The Regents of the University of California

US Patent


Assay Description
In vitro kinase assays for c-Src variants were performed in 50 mM Tris (pH 8.0), 10 mM MgCl2 and 1 mg/mL BSA. When obtaining kinetic parameters (kcat...


US Patent US9353116 (2016)


BindingDB Entry DOI: 10.7270/Q2V123N7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,V323A,T338C]


(Gallus gallus (Chicken))
BDBM234843
PNG
(US9353116, 3)
Show SMILES CC(C)n1nc(-c2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18N6O2S/c1-4-25(23,24)21-12-7-5-6-11(8-12)14-13-15(17)18-9-19-16(13)22(20-14)10(2)3/h4-10,21H,1H2,2-3H3,(H2,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 63n/an/an/an/a8.0n/a



The Regents of the University of California

US Patent


Assay Description
In vitro kinase assays for c-Src variants were performed in 50 mM Tris (pH 8.0), 10 mM MgCl2 and 1 mg/mL BSA. When obtaining kinetic parameters (kcat...


US Patent US9353116 (2016)


BindingDB Entry DOI: 10.7270/Q2V123N7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,T338C]


(Gallus gallus (Chicken))
BDBM234843
PNG
(US9353116, 3)
Show SMILES CC(C)n1nc(-c2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18N6O2S/c1-4-25(23,24)21-12-7-5-6-11(8-12)14-13-15(17)18-9-19-16(13)22(20-14)10(2)3/h4-10,21H,1H2,2-3H3,(H2,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 111n/an/an/an/a8.0n/a



The Regents of the University of California

US Patent


Assay Description
In vitro kinase assays for c-Src variants were performed in 50 mM Tris (pH 8.0), 10 mM MgCl2 and 1 mg/mL BSA. When obtaining kinetic parameters (kcat...


US Patent US9353116 (2016)


BindingDB Entry DOI: 10.7270/Q2V123N7
More data for this
Ligand-Target Pair