BindingDB logo
myBDB logout

Patent code US9260454

Compile Data Set for Download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204888
PNG
(US9260454, 21)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)CCOc1ccccc1)c2=O
Show InChI InChI=1S/C20H20N4O5S/c25-17(8-14-29-15-5-2-1-3-6-15)21-10-12-22(13-11-21)20(27)24-18(26)16-7-4-9-23(28)19(16)30-24/h1-7,9H,8,10-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204894
PNG
(US9260454, 28)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)C1CC1)c2=O
Show InChI InChI=1S/C15H16N4O4S/c20-12(10-3-4-10)16-6-8-17(9-7-16)15(22)19-13(21)11-2-1-5-18(23)14(11)24-19/h1-2,5,10H,3-4,6-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 45n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204910
PNG
(US9260454, 69)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C20H20N4O6S/c1-29-15-6-5-13(12-16(15)30-2)17(25)21-8-10-22(11-9-21)20(27)24-18(26)14-4-3-7-23(28)19(14)31-24/h3-7,12H,8-11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204897
PNG
(US9260454, 38)
Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C13H16N4O5S2/c1-2-24(21,22)15-8-6-14(7-9-15)13(19)17-11(18)10-4-3-5-16(20)12(10)23-17/h3-5H,2,6-9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 61n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204895
PNG
(US9260454, 29)
Show SMILES CC(C)C(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C15H18N4O4S/c1-10(2)12(20)16-6-8-17(9-7-16)15(22)19-13(21)11-4-3-5-18(23)14(11)24-19/h3-5,10H,6-9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204911
PNG
(US9260454, 70)
Show SMILES CC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C13H14N4O4S/c1-9(18)14-5-7-15(8-6-14)13(20)17-11(19)10-3-2-4-16(21)12(10)22-17/h2-4H,5-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204909
PNG
(US9260454, 68)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)C(=O)n1sc2[nH]cccc2c1=O
Show InChI InChI=1S/C20H20N4O5S/c1-28-15-6-5-13(12-16(15)29-2)18(25)22-8-10-23(11-9-22)20(27)24-19(26)14-4-3-7-21-17(14)30-24/h3-7,12H,8-11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 65n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204922
PNG
(US9260454, 89)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)c1ccccn1)c2=O
Show InChI InChI=1S/C17H15N5O4S/c23-14-12-4-3-7-21(26)16(12)27-22(14)17(25)20-10-8-19(9-11-20)15(24)13-5-1-2-6-18-13/h1-7H,8-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 72n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204887
PNG
(US9260454, 20)
Show SMILES O=C(CCOc1ccccc1)N1CCN(CC1)C(=O)n1sc2ncccc2c1=O
Show InChI InChI=1S/C20H20N4O4S/c25-17(8-14-28-15-5-2-1-3-6-15)22-10-12-23(13-11-22)20(27)24-19(26)16-7-4-9-21-18(16)29-24/h1-7,9H,8,10-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204900
PNG
(US9260454, 44)
Show SMILES NCC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C13H15N5O4S/c14-8-10(19)15-4-6-16(7-5-15)13(21)18-11(20)9-2-1-3-17(22)12(9)23-18/h1-3H,4-8,14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204914
PNG
(US9260454, 78)
Show SMILES CCCC(=O)C1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C16H19N3O4S/c1-2-4-13(20)11-6-9-17(10-7-11)16(22)19-14(21)12-5-3-8-18(23)15(12)24-19/h3,5,8,11H,2,4,6-7,9-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204913
PNG
(US9260454, 74)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)c1ccncc1)c2=O
Show InChI InChI=1S/C17H15N5O4S/c23-14(12-3-5-18-6-4-12)19-8-10-20(11-9-19)17(25)22-15(24)13-2-1-7-21(26)16(13)27-22/h1-7H,8-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204902
PNG
(US9260454, 46)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC1)c2=O
Show InChI InChI=1S/C19H21N7O3S/c27-17-14-4-3-9-25(29)18(14)30-26(17)19(28)24-12-10-23(11-13-24)16-6-5-15(20-21-16)22-7-1-2-8-22/h3-6,9H,1-2,7-8,10-13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204915
PNG
(US9260454, 80)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCNC(=O)C1)c2=O
Show InChI InChI=1S/C11H10N4O4S/c16-8-6-13(5-3-12-8)11(18)15-9(17)7-2-1-4-14(19)10(7)20-15/h1-2,4H,3,5-6H2,(H,12,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204908
PNG
(US9260454, 63 | US9260454, 85)
Show SMILES NS(=O)(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C11H13N5O5S2/c12-23(20,21)14-6-4-13(5-7-14)11(18)16-9(17)8-2-1-3-15(19)10(8)22-16/h1-3H,4-7H2,(H2,12,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204899
PNG
(US9260454, 42)
Show SMILES CNC1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C13H16N4O3S/c1-14-9-4-7-15(8-5-9)13(19)17-11(18)10-3-2-6-16(20)12(10)21-17/h2-3,6,9,14H,4-5,7-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204921
PNG
(US9260454, 88)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C12H14N4O5S2/c1-23(20,21)14-7-5-13(6-8-14)12(18)16-10(17)9-3-2-4-15(19)11(9)22-16/h2-4H,5-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 250n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204884
PNG
(US9260454, 5)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCOCC1)c2=O
Show InChI InChI=1S/C11H11N3O4S/c15-9-8-2-1-3-13(17)10(8)19-14(9)11(16)12-4-6-18-7-5-12/h1-3H,4-7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 270n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204892
PNG
(US9260454, 26)
Show SMILES CC(=O)N1CCN(CC1)C(=O)n1sc2[nH]cccc2c1=O
Show InChI InChI=1S/C13H14N4O3S/c1-9(18)15-5-7-16(8-6-15)13(20)17-12(19)10-3-2-4-14-11(10)21-17/h2-4H,5-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204898
PNG
(US9260454, 40)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C17H23N5O3S/c1-18-9-11-19(12-10-18)13-4-7-20(8-5-13)17(24)22-15(23)14-3-2-6-21(25)16(14)26-22/h2-3,6,13H,4-5,7-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204891
PNG
(US9260454, 24)
Show SMILES COc1ccc(CNC(=O)n2sc3[n+]([O-])cccc3c2=O)cc1OC
Show InChI InChI=1S/C16H15N3O5S/c1-23-12-6-5-10(8-13(12)24-2)9-17-16(21)19-14(20)11-4-3-7-18(22)15(11)25-19/h3-8H,9H2,1-2H3,(H,17,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 370n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204893
PNG
(US9260454, 27)
Show SMILES O=C(C1CC1)N1CCN(CC1)C(=O)n1sc2[nH]cccc2c1=O
Show InChI InChI=1S/C15H16N4O3S/c20-13(10-3-4-10)17-6-8-18(9-7-17)15(22)19-14(21)11-2-1-5-16-12(11)23-19/h1-2,5,10H,3-4,6-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 420n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204896
PNG
(US9260454, 36)
Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H16N4O4S2/c1-2-23(20,21)16-8-6-15(7-9-16)13(19)17-12(18)10-4-3-5-14-11(10)22-17/h3-5H,2,6-9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 430n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204917
PNG
(US9260454, 83)
Show SMILES COCCC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C15H18N4O5S/c1-24-10-4-12(20)16-6-8-17(9-7-16)15(22)19-13(21)11-3-2-5-18(23)14(11)25-19/h2-3,5H,4,6-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 750n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204890
PNG
(US9260454, 23)
Show SMILES OC1O[C@H](NC(=O)n2sc3ncccc3c2=O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H13N3O7S/c16-5-6(17)8(22-11(20)7(5)18)14-12(21)15-10(19)4-2-1-3-13-9(4)23-15/h1-3,5-8,11,16-18,20H,(H,14,21)/t5-,6+,7+,8-,11?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 800n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204906
PNG
(US9260454, 59)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)[C@@H]1CCC(=O)N1)c2=O
Show InChI InChI=1S/C16H17N5O5S/c22-12-4-3-11(17-12)14(24)18-6-8-19(9-7-18)16(25)21-13(23)10-2-1-5-20(26)15(10)27-21/h1-2,5,11H,3-4,6-9H2,(H,17,22)/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204882
PNG
(US9260454, 6)
Show SMILES O=C(N1CCN(CC1)c1ccc(cc1)C#N)n1sc2[nH]cccc2c1=O
Show InChI InChI=1S/C18H15N5O2S/c19-12-13-3-5-14(6-4-13)21-8-10-22(11-9-21)18(25)23-17(24)15-2-1-7-20-16(15)26-23/h1-7H,8-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204912
PNG
(US9260454, 72)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCNCC1)c2=O
Show InChI InChI=1S/C11H12N4O3S/c16-9-8-2-1-5-14(18)10(8)19-15(9)11(17)13-6-3-12-4-7-13/h1-2,5,12H,3-4,6-7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204889
PNG
(US9260454, 22)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)n2sc3ncccc3c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C21H23N3O11S/c1-9(25)31-8-14-16(32-10(2)26)17(33-11(3)27)15(20(35-14)34-12(4)28)23-21(30)24-19(29)13-6-5-7-22-18(13)36-24/h5-7,14-17,20H,8H2,1-4H3,(H,23,30)/t14-,15-,16-,17-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204919
PNG
(US9260454, 84)
Show SMILES NC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C12H13N5O4S/c13-11(19)14-4-6-15(7-5-14)12(20)17-9(18)8-2-1-3-16(21)10(8)22-17/h1-3H,4-7H2,(H2,13,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204904
PNG
(US9260454, 53)
Show SMILES CNC(C)(C)C(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C16H21N5O4S/c1-16(2,17-3)14(23)18-7-9-19(10-8-18)15(24)21-12(22)11-5-4-6-20(25)13(11)26-21/h4-6,17H,7-10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204905
PNG
(US9260454, 55)
Show SMILES CCNCC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C15H19N5O4S/c1-2-16-10-12(21)17-6-8-18(9-7-17)15(23)20-13(22)11-4-3-5-19(24)14(11)25-20/h3-5,16H,2,6-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204918
PNG
(US9260454, 86)
Show SMILES OC1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C12H13N3O4S/c16-8-3-6-13(7-4-8)12(18)15-10(17)9-2-1-5-14(19)11(9)20-15/h1-2,5,8,16H,3-4,6-7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204903
PNG
(US9260454, 50)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)[C@@H]1CCCN1)c2=O
Show InChI InChI=1S/C16H19N5O4S/c22-13-11-3-2-6-20(25)15(11)26-21(13)16(24)19-9-7-18(8-10-19)14(23)12-4-1-5-17-12/h2-3,6,12,17H,1,4-5,7-10H2/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204908
PNG
(US9260454, 63 | US9260454, 85)
Show SMILES NS(=O)(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C11H13N5O5S2/c12-23(20,21)14-6-4-13(5-7-14)11(18)16-9(17)8-2-1-3-15(19)10(8)22-16/h1-3H,4-7H2,(H2,12,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204916
PNG
(US9260454, 81)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C13H15N3O4S/c1-8-6-14(7-9(2)20-8)13(18)16-11(17)10-4-3-5-15(19)12(10)21-16/h3-5,8-9H,6-7H2,1-2H3/t8-,9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204907
PNG
(US9260454, 62)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCC(CC1)N1CCNC1=O)c2=O
Show InChI InChI=1S/C15H17N5O4S/c21-12-11-2-1-6-19(24)13(11)25-20(12)15(23)17-7-3-10(4-8-17)18-9-5-16-14(18)22/h1-2,6,10H,3-5,7-9H2,(H,16,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204901
PNG
(US9260454, 45)
Show SMILES [O-][n+]1cccc2c1sn(C(=O)N1CCC3(CCCN3)CC1)c2=O
Show InChI InChI=1S/C15H18N4O3S/c20-12-11-3-1-8-18(22)13(11)23-19(12)14(21)17-9-5-15(6-10-17)4-2-7-16-15/h1,3,8,16H,2,4-7,9-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30E+3n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204885
PNG
(US9260454, 10)
Show SMILES OC(=O)CN1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C13H14N4O5S/c18-10(19)8-14-4-6-15(7-5-14)13(21)17-11(20)9-2-1-3-16(22)12(9)23-17/h1-3H,4-8H2,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+4n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204883
PNG
(US9260454, 8)
Show SMILES OC(=O)CN1CCN(CC1)C(=O)n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H14N4O4S/c18-10(19)8-15-4-6-16(7-5-15)13(21)17-12(20)9-2-1-3-14-11(9)22-17/h1-3H,4-8H2,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+4n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204886
PNG
(US9260454, 16)
Show SMILES CC(NC(=O)n1sc2[n+]([O-])cccc2c1=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H15N3O5S/c1-10(11-4-5-13-14(9-11)25-8-7-24-13)18-17(22)20-15(21)12-3-2-6-19(23)16(12)26-20/h2-6,9-10H,7-8H2,1H3,(H,18,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60E+4n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%