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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Gamma-glutamyltranspeptidase 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248738
PNG
(2-(2-Chlorophenyl)-N,N',4-trimethyl-10Hphenothiazi...)
Show SMILES CNC(=O)c1c(C)c2Sc3ccccc3Nc2c(C(=O)NC)c1-c1ccccc1Cl
Show InChI InChI=1S/C23H20ClN3O2S/c1-12-17(22(28)25-2)18(13-8-4-5-9-14(13)24)19(23(29)26-3)20-21(12)30-16-11-7-6-10-15(16)27-20/h4-11,27H,1-3H3,(H,25,28)(H,26,29)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248772
PNG
(2-(1,3-benzodioxol-5-yl)-N,N',4-trimethyl-10Hpheno...)
Show SMILES CNC(=O)c1c2Nc3ccccc3Sc2c(C)c(C(C)=O)c1-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H20N2O4S/c1-12-19(13(2)27)20(14-8-9-16-17(10-14)30-11-29-16)21(24(28)25-3)22-23(12)31-18-7-5-4-6-15(18)26-22/h4-10,26H,11H2,1-3H3,(H,25,28)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248626
PNG
(2-(2-Chlorophenyl)-N,N',4-trimethyl-2,10-dihydro-1...)
Show SMILES CNC(=O)C1C(C(C(=O)NC)=C(C)C2Sc3ccccc3N=C12)c1ccccc1Cl
Show InChI InChI=1S/C23H22ClN3O2S/c1-12-17(22(28)25-2)18(13-8-4-5-9-14(13)24)19(23(29)26-3)20-21(12)30-16-11-7-6-10-15(16)27-20/h4-11,18-19,21H,1-3H3,(H,25,28)(H,26,29)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248736
PNG
(2-Phenyl-N,N',4-trimethyl-10H-phenothiazine-1,3-di...)
Show SMILES CNC(=O)c1c(C)c2Sc3ccccc3Nc2c(C(=O)NC)c1-c1ccccc1
Show InChI InChI=1S/C23H21N3O2S/c1-13-17(22(27)24-2)18(14-9-5-4-6-10-14)19(23(28)25-3)20-21(13)29-16-12-8-7-11-15(16)26-20/h4-12,26H,1-3H3,(H,24,27)(H,25,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248739
PNG
(2-(4-Chlorophenyl)-N,N',4-trimethyl-10Hphenothiazi...)
Show SMILES CNC(=O)c1c(C)c2Sc3ccccc3Nc2c(C(=O)NC)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O2S/c1-12-17(22(28)25-2)18(13-8-10-14(24)11-9-13)19(23(29)26-3)20-21(12)30-16-7-5-4-6-15(16)27-20/h4-11,27H,1-3H3,(H,25,28)(H,26,29)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248624
PNG
(2-Phenyl-N,N',4-trimethyl-2,10-dihydro-1Hphenothia...)
Show SMILES CNC(=O)C1C(C(C(=O)NC)C2=Nc3ccccc3SC2=C1C)c1ccccc1
Show InChI InChI=1S/C23H23N3O2S/c1-13-17(22(27)24-2)18(14-9-5-4-6-10-14)19(23(28)25-3)20-21(13)29-16-12-8-7-11-15(16)26-20/h4-12,17-19H,1-3H3,(H,24,27)(H,25,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248771
PNG
(2-(4-Methoxyphenyl)-N,N',4-trimethyl-10Hphenothiaz...)
Show SMILES CNC(=O)c1c(C)c2Sc3ccccc3Nc2c(C(=O)NC)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H23N3O3S/c1-13-18(23(28)25-2)19(14-9-11-15(30-4)12-10-14)20(24(29)26-3)21-22(13)31-17-8-6-5-7-16(17)27-21/h5-12,27H,1-4H3,(H,25,28)(H,26,29)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248625
PNG
(2-(2-Methylphenyl)-N,N',4-trimethyl-2,10-dihydro-1...)
Show SMILES CNC(=O)C1C(C(C(=O)NC)C2=Nc3ccccc3SC2=C1C)c1ccccc1C
Show InChI InChI=1S/C24H25N3O2S/c1-13-9-5-6-10-15(13)19-18(23(28)25-3)14(2)22-21(20(19)24(29)26-4)27-16-11-7-8-12-17(16)30-22/h5-12,18-20H,1-4H3,(H,25,28)(H,26,29)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248773
PNG
(2-(4-Nitrophenyl)-N,N',4-trimethyl-10Hphenothiazin...)
Show SMILES CNC(=O)c1c2Nc3ccccc3Sc2c(C)c(C(C)=O)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H19N3O4S/c1-12-18(13(2)27)19(14-8-10-15(11-9-14)26(29)30)20(23(28)24-3)21-22(12)31-17-7-5-4-6-16(17)25-21/h4-11,25H,1-3H3,(H,24,28)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248701
PNG
(2-(4-Methoxyphenyl)-N,N',4-trimethyl-2,10-dihydro-...)
Show SMILES CNC(=O)C1C(C(C(=O)NC)=C(C)C2Sc3ccccc3N=C12)c1ccc(OC)cc1
Show InChI InChI=1S/C24H25N3O3S/c1-13-18(23(28)25-2)19(14-9-11-15(30-4)12-10-14)20(24(29)26-3)21-22(13)31-17-8-6-5-7-16(17)27-21/h5-12,19-20,22H,1-4H3,(H,25,28)(H,26,29)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248737
PNG
(2-(2-Methylphenyl)-N,N',4-trimethyl-10Hphenothiazi...)
Show SMILES CNC(=O)c1c(C)c2Sc3ccccc3Nc2c(C(=O)NC)c1-c1ccccc1C
Show InChI InChI=1S/C24H23N3O2S/c1-13-9-5-6-10-15(13)19-18(23(28)25-3)14(2)22-21(20(19)24(29)26-4)27-16-11-7-8-12-17(16)30-22/h5-12,27H,1-4H3,(H,25,28)(H,26,29)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248770
PNG
(2-(2-Methoxyphenyl)-N,N',4-trimethyl-10Hphenothiaz...)
Show SMILES CNC(=O)c1c(C)c2Sc3ccccc3Nc2c(C(=O)NC)c1-c1ccccc1OC
Show InChI InChI=1S/C24H23N3O3S/c1-13-18(23(28)25-2)19(14-9-5-7-11-16(14)30-4)20(24(29)26-3)21-22(13)31-17-12-8-6-10-15(17)27-21/h5-12,27H,1-4H3,(H,25,28)(H,26,29)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248702
PNG
(2-(1,3-Benzodioxol-5-yl)-N,N',4-trimethyl-2,10-dih...)
Show SMILES CNC(=O)C1C(C(C(=O)NC)=C(C)C2Sc3ccccc3N=C12)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H23N3O4S/c1-12-18(23(28)25-2)19(13-8-9-15-16(10-13)31-11-30-15)20(24(29)26-3)21-22(12)32-17-7-5-4-6-14(17)27-21/h4-10,19-20,22H,11H2,1-3H3,(H,25,28)(H,26,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248700
PNG
(2-(2-Methoxyphenyl)-N,N',4-trimethyl-2,10-dihydro-...)
Show SMILES CNC(=O)C1C(C(C(=O)NC)=C(C)C2Sc3ccccc3N=C12)c1ccccc1OC
Show InChI InChI=1S/C24H25N3O3S/c1-13-18(23(28)25-2)19(14-9-5-7-11-16(14)30-4)20(24(29)26-3)21-22(13)31-17-12-8-6-10-15(17)27-21/h5-12,19-20,22H,1-4H3,(H,25,28)(H,26,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248655
PNG
(2-(4-Chlorophenyl)-N,N',4-trimethyl-2,10-dihydro-1...)
Show SMILES CNC(=O)C1C(C(C(=O)NC)=C(C)C2Sc3ccccc3N=C12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3O2S/c1-12-17(22(28)25-2)18(13-8-10-14(24)11-9-13)19(23(29)26-3)20-21(12)30-16-7-5-4-6-15(16)27-20/h4-11,18-19,21H,1-3H3,(H,25,28)(H,26,29)
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n/an/a>3.50E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-glutamyltranspeptidase 1


(Homo sapiens)
BDBM50248703
PNG
(2-(4-Nitrophenyl)-N,N',4-trimethyl-2,10-dihydro-1H...)
Show SMILES CNC(=O)C1C(C(C(=O)NC)=C(C)C2Sc3ccccc3N=C12)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N4O4S/c1-12-17(22(28)24-2)18(13-8-10-14(11-9-13)27(30)31)19(23(29)25-3)20-21(12)32-16-7-5-4-6-15(16)26-20/h4-11,18-19,21H,1-3H3,(H,24,28)(H,25,29)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of gamma-glutamyltranspeptidase (unknown origin) by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair