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PubMed code 24900540

Compile data set for download or QSAR
Found 47 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


(Mus musculus)
BDBM50392906
PNG
(CHEMBL2152204)
Show SMILES COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
Show InChI InChI=1S/C24H29N3O5S/c1-3-23(28)26-20-13-16-27(17-14-20)33(30,31)22-10-6-19(7-11-22)24(29)25-15-12-18-4-8-21(32-2)9-5-18/h3-11,20H,1,12-17H2,2H3,(H,25,29)(H,26,28)
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392906
PNG
(CHEMBL2152204)
Show SMILES COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
Show InChI InChI=1S/C24H29N3O5S/c1-3-23(28)26-20-13-16-27(17-14-20)33(30,31)22-10-6-19(7-11-22)24(29)25-15-12-18-4-8-21(32-2)9-5-18/h3-11,20H,1,12-17H2,2H3,(H,25,29)(H,26,28)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392897
PNG
(CHEMBL2152105)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCC1CCCCC1
Show InChI InChI=1S/C23H33N3O4S/c1-2-22(27)25-20-13-16-26(17-14-20)31(29,30)21-10-8-19(9-11-21)23(28)24-15-12-18-6-4-3-5-7-18/h2,8-11,18,20H,1,3-7,12-17H2,(H,24,28)(H,25,27)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392901
PNG
(CHEMBL2152199)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O4S/c1-2-25(30)28-22-14-16-29(17-15-22)34(32,33)23-12-10-20(11-13-23)26(31)27-18-21-8-5-7-19-6-3-4-9-24(19)21/h2-13,22H,1,14-18H2,(H,27,31)(H,28,30)
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392915
PNG
(CHEMBL2152213)
Show SMILES Clc1cccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)c1
Show InChI InChI=1S/C23H26ClN3O4S/c1-2-22(28)26-20-11-14-27(15-12-20)32(30,31)21-8-6-18(7-9-21)23(29)25-13-10-17-4-3-5-19(24)16-17/h2-9,16,20H,1,10-15H2,(H,25,29)(H,26,28)
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392916
PNG
(CHEMBL2152214)
Show SMILES Cc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1C
Show InChI InChI=1S/C25H31N3O4S/c1-4-24(29)27-22-12-15-28(16-13-22)33(31,32)23-9-7-21(8-10-23)25(30)26-14-11-20-6-5-18(2)19(3)17-20/h4-10,17,22H,1,11-16H2,2-3H3,(H,26,30)(H,27,29)
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392890
PNG
(CHEMBL2152098)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H27N3O4S/c1-2-22(27)25-20-13-16-26(17-14-20)31(29,30)21-10-8-19(9-11-21)23(28)24-15-12-18-6-4-3-5-7-18/h2-11,20H,1,12-17H2,(H,24,28)(H,25,27)
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392903
PNG
(CHEMBL2152201)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C24H27N3O4S/c1-2-23(28)25-20-11-13-27(14-12-20)32(30,31)22-9-7-17(8-10-22)24(29)26-21-15-18-5-3-4-6-19(18)16-21/h2-10,20-21H,1,11-16H2,(H,25,28)(H,26,29)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392891
PNG
(CHEMBL2152099)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H25N3O4S/c1-2-21(26)24-19-12-14-25(15-13-19)30(28,29)20-10-8-18(9-11-20)22(27)23-16-17-6-4-3-5-7-17/h2-11,19H,1,12-16H2,(H,23,27)(H,24,26)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392911
PNG
(CHEMBL2152209)
Show SMILES COc1ccccc1CCNC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C=C
Show InChI InChI=1S/C24H29N3O5S/c1-3-23(28)26-20-13-16-27(17-14-20)33(30,31)21-10-8-19(9-11-21)24(29)25-15-12-18-6-4-5-7-22(18)32-2/h3-11,20H,1,12-17H2,2H3,(H,25,29)(H,26,28)
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392914
PNG
(CHEMBL2152212)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1cccc2CCOc12
Show InChI InChI=1S/C25H29N3O5S/c1-2-23(29)27-21-11-15-28(16-12-21)34(31,32)22-8-6-20(7-9-22)25(30)26-14-10-18-4-3-5-19-13-17-33-24(18)19/h2-9,21H,1,10-17H2,(H,26,30)(H,27,29)
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392909
PNG
(CHEMBL2152207)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc2ccccc2c1
Show InChI InChI=1S/C27H29N3O4S/c1-2-26(31)29-24-14-17-30(18-15-24)35(33,34)25-11-9-22(10-12-25)27(32)28-16-13-20-7-8-21-5-3-4-6-23(21)19-20/h2-12,19,24H,1,13-18H2,(H,28,32)(H,29,31)
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392913
PNG
(CHEMBL2152211)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1cccc2OCOc12
Show InChI InChI=1S/C24H27N3O6S/c1-2-22(28)26-19-11-14-27(15-12-19)34(30,31)20-8-6-18(7-9-20)24(29)25-13-10-17-4-3-5-21-23(17)33-16-32-21/h2-9,19H,1,10-16H2,(H,25,29)(H,26,28)
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392905
PNG
(CHEMBL2152203)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
Show InChI InChI=1S/C23H26ClN3O4S/c1-2-22(28)26-20-12-15-27(16-13-20)32(30,31)21-9-5-18(6-10-21)23(29)25-14-11-17-3-7-19(24)8-4-17/h2-10,20H,1,11-16H2,(H,25,29)(H,26,28)
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392881
PNG
(CHEMBL2152090)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-12-14-25(15-13-19)31(28,29)20-10-8-18(9-11-20)24-22(27)30-16-17-6-4-3-5-7-17/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392910
PNG
(CHEMBL2152208)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc2cccnc2c1
Show InChI InChI=1S/C26H28N4O4S/c1-2-25(31)29-22-12-16-30(17-13-22)35(33,34)23-9-7-21(8-10-23)26(32)28-15-11-19-5-6-20-4-3-14-27-24(20)18-19/h2-10,14,18,22H,1,11-13,15-17H2,(H,28,32)(H,29,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392902
PNG
(CHEMBL2152200)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H29N3O4S/c1-2-24(29)26-20-14-16-28(17-15-20)33(31,32)21-12-10-19(11-13-21)25(30)27-23-9-5-7-18-6-3-4-8-22(18)23/h2-4,6,8,10-13,20,23H,1,5,7,9,14-17H2,(H,26,29)(H,27,30)
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392899
PNG
(CHEMBL2152197)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCC1CCOCC1
Show InChI InChI=1S/C22H31N3O5S/c1-2-21(26)24-19-8-13-25(14-9-19)31(28,29)20-5-3-18(4-6-20)22(27)23-12-7-17-10-15-30-16-11-17/h2-6,17,19H,1,7-16H2,(H,23,27)(H,24,26)
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392900
PNG
(CHEMBL2152198)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C21H30N4O5S/c1-2-20(26)23-18-7-10-25(11-8-18)31(28,29)19-5-3-17(4-6-19)21(27)22-9-12-24-13-15-30-16-14-24/h2-6,18H,1,7-16H2,(H,22,27)(H,23,26)
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392893
PNG
(CHEMBL2152101)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O4S/c1-2-23(28)25-19-12-14-27(15-13-19)32(30,31)20-10-8-18(9-11-20)24(29)26-22-16-21(22)17-6-4-3-5-7-17/h2-11,19,21-22H,1,12-16H2,(H,25,28)(H,26,29)/t21-,22+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392912
PNG
(CHEMBL2152210)
Show SMILES COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1OC
Show InChI InChI=1S/C25H31N3O6S/c1-4-24(29)27-20-12-15-28(16-13-20)35(31,32)21-8-6-19(7-9-21)25(30)26-14-11-18-5-10-22(33-2)23(17-18)34-3/h4-10,17,20H,1,11-16H2,2-3H3,(H,26,30)(H,27,29)
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n/an/a 460n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392895
PNG
(CHEMBL2152103)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C=C
Show InChI InChI=1S/C24H29N3O4S/c1-3-23(28)25-21-14-17-27(18-15-21)32(30,31)22-11-9-20(10-12-22)24(29)26(2)16-13-19-7-5-4-6-8-19/h3-12,21H,1,13-18H2,2H3,(H,25,28)
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n/an/a 460n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392904
PNG
(CHEMBL2152202)
Show SMILES FC(F)(F)c1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
Show InChI InChI=1S/C24H26F3N3O4S/c1-2-22(31)29-20-12-15-30(16-13-20)35(33,34)21-9-5-18(6-10-21)23(32)28-14-11-17-3-7-19(8-4-17)24(25,26)27/h2-10,20H,1,11-16H2,(H,28,32)(H,29,31)
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n/an/a 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392894
PNG
(CHEMBL2152102)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C24H27N3O4S/c1-2-23(28)25-21-12-15-27(16-13-21)32(30,31)22-9-7-19(8-10-22)24(29)26-14-11-18-5-3-4-6-20(18)17-26/h2-10,21H,1,11-17H2,(H,25,28)
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n/an/a 620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392896
PNG
(CHEMBL2152104)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C=C
Show InChI InChI=1S/C23H27N3O4S/c1-3-22(27)24-20-13-15-26(16-14-20)31(29,30)21-11-9-19(10-12-21)23(28)25(2)17-18-7-5-4-6-8-18/h3-12,20H,1,13-17H2,2H3,(H,24,27)
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n/an/a 630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392898
PNG
(CHEMBL2152196)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 |TLB:32:27:34:33.31.30,32:31:34:28.27.26,THB:33:25:28:32.31.30,33:31:28:34.26.25|
Show InChI InChI=1S/C27H37N3O4S/c1-2-25(31)29-23-7-11-30(12-8-23)35(33,34)24-5-3-22(4-6-24)26(32)28-10-9-27-16-19-13-20(17-27)15-21(14-19)18-27/h2-6,19-21,23H,1,7-18H2,(H,28,32)(H,29,31)
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n/an/a 660n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392892
PNG
(CHEMBL2152100)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C24H29N3O4S/c1-2-23(28)26-21-14-17-27(18-15-21)32(30,31)22-12-10-20(11-13-22)24(29)25-16-6-9-19-7-4-3-5-8-19/h2-5,7-8,10-13,21H,1,6,9,14-18H2,(H,25,29)(H,26,28)
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n/an/a 770n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))
BDBM50392881
PNG
(CHEMBL2152090)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-12-14-25(15-13-19)31(28,29)20-10-8-18(9-11-20)24-22(27)30-16-17-6-4-3-5-7-17/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
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n/an/a 910n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM1


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))
BDBM50392906
PNG
(CHEMBL2152204)
Show SMILES COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
Show InChI InChI=1S/C24H29N3O5S/c1-3-23(28)26-20-13-16-27(17-14-20)33(30,31)22-10-6-19(7-11-22)24(29)25-15-12-18-4-8-21(32-2)9-5-18/h3-11,20H,1,12-17H2,2H3,(H,25,29)(H,26,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM1


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392918
PNG
(CHEMBL2152216)
Show SMILES C=CC(=O)NC1CCN(Cc2ccc(NC(=O)OCc3ccccc3)cc2)CC1
Show InChI InChI=1S/C23H27N3O3/c1-2-22(27)24-21-12-14-26(15-13-21)16-18-8-10-20(11-9-18)25-23(28)29-17-19-6-4-3-5-7-19/h2-11,21H,1,12-17H2,(H,24,27)(H,25,28)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392889
PNG
(CHEMBL2152097)
Show SMILES C=CC(=O)NC1CN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C20H21N3O5S/c1-2-19(24)21-17-12-23(13-17)29(26,27)18-10-8-16(9-11-18)22-20(25)28-14-15-6-4-3-5-7-15/h2-11,17H,1,12-14H2,(H,21,24)(H,22,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392883
PNG
(CHEMBL2086885)
Show SMILES C=CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)23-12-14-24(15-13-23)30(27,28)19-10-8-18(9-11-19)22-21(26)29-16-17-6-4-3-5-7-17/h2-11H,1,12-16H2,(H,22,26)
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n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392884
PNG
(CHEMBL2152092)
Show SMILES CN(CCNC(=O)C=C)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C20H23N3O5S/c1-3-19(24)21-13-14-23(2)29(26,27)18-11-9-17(10-12-18)22-20(25)28-15-16-7-5-4-6-8-16/h3-12H,1,13-15H2,2H3,(H,21,24)(H,22,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50392881
PNG
(CHEMBL2152090)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-12-14-25(15-13-19)31(28,29)20-10-8-18(9-11-20)24-22(27)30-16-17-6-4-3-5-7-17/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
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n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human factor-13A


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392882
PNG
(CHEMBL2152091)
Show SMILES C=CC(=O)NCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C23H27N3O5S/c1-2-22(27)24-16-18-12-14-26(15-13-18)32(29,30)21-10-8-20(9-11-21)25-23(28)31-17-19-6-4-3-5-7-19/h2-11,18H,1,12-17H2,(H,24,27)(H,25,28)
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n/an/a 5.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50392906
PNG
(CHEMBL2152204)
Show SMILES COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
Show InChI InChI=1S/C24H29N3O5S/c1-3-23(28)26-20-13-16-27(17-14-20)33(30,31)22-10-6-19(7-11-22)24(29)25-15-12-18-4-8-21(32-2)9-5-18/h3-11,20H,1,12-17H2,2H3,(H,25,29)(H,26,28)
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n/an/a 6.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human factor-13A


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 6


(Homo sapiens (Human))
BDBM50392881
PNG
(CHEMBL2152090)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-12-14-25(15-13-19)31(28,29)20-10-8-18(9-11-20)24-22(27)30-16-17-6-4-3-5-7-17/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
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n/an/a 8.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM6


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392917
PNG
(CHEMBL2152215)
Show SMILES C=CC(=O)NC1CCN(CC1)C(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C23H25N3O4/c1-2-21(27)24-20-12-14-26(15-13-20)22(28)18-8-10-19(11-9-18)25-23(29)30-16-17-6-4-3-5-7-17/h2-11,20H,1,12-16H2,(H,24,27)(H,25,29)
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n/an/a 8.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392907
PNG
(CHEMBL2152205)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
Show InChI InChI=1S/C27H35N3O4S/c1-5-25(31)29-23-15-18-30(19-16-23)35(33,34)24-12-8-21(9-13-24)26(32)28-17-14-20-6-10-22(11-7-20)27(2,3)4/h5-13,23H,1,14-19H2,2-4H3,(H,28,32)(H,29,31)
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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392888
PNG
(CHEMBL2152096)
Show SMILES C=CC(=O)N[C@@H]1CCN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-18-12-13-24(14-18)30(27,28)19-10-8-17(9-11-19)23-21(26)29-15-16-6-4-3-5-7-16/h2-11,18H,1,12-15H2,(H,22,25)(H,23,26)/t18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 6


(Homo sapiens (Human))
BDBM50392906
PNG
(CHEMBL2152204)
Show SMILES COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
Show InChI InChI=1S/C24H29N3O5S/c1-3-23(28)26-20-13-16-27(17-14-20)33(30,31)22-10-6-19(7-11-22)24(29)25-15-12-18-4-8-21(32-2)9-5-18/h3-11,20H,1,12-17H2,2H3,(H,25,29)(H,26,28)
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n/an/a 3.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM6


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392887
PNG
(CHEMBL2152095)
Show SMILES C=CC(=O)N[C@H]1CCN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-18-12-13-24(14-18)30(27,28)19-10-8-17(9-11-19)23-21(26)29-15-16-6-4-3-5-7-16/h2-11,18H,1,12-15H2,(H,22,25)(H,23,26)/t18-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392908
PNG
(CHEMBL2152206)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O4S/c1-2-28(33)31-26-17-20-32(21-18-26)37(35,36)27-14-12-25(13-15-27)29(34)30-19-16-22-8-10-24(11-9-22)23-6-4-3-5-7-23/h2-15,26H,1,16-21H2,(H,30,34)(H,31,33)
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n/an/a 5.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392880
PNG
(CHEMBL2086886)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C14H19N3O3S/c15-12-3-5-13(6-4-12)21(19,20)17-9-7-16(8-10-17)14(18)11-1-2-11/h3-6,11H,1-2,7-10,15H2
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n/an/a>8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))
BDBM50392881
PNG
(CHEMBL2152090)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-12-14-25(15-13-19)31(28,29)20-10-8-18(9-11-20)24-22(27)30-16-17-6-4-3-5-7-17/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
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n/an/a>8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM3


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392886
PNG
(CHEMBL2152094)
Show SMILES C=CC(=O)N[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-9-6-14-25(15-19)31(28,29)20-12-10-18(11-13-20)24-22(27)30-16-17-7-4-3-5-8-17/h2-5,7-8,10-13,19H,1,6,9,14-16H2,(H,23,26)(H,24,27)/t19-/m1/s1
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n/an/a>8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50392885
PNG
(CHEMBL2152093)
Show SMILES C=CC(=O)N[C@H]1CCCN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-9-6-14-25(15-19)31(28,29)20-12-10-18(11-13-20)24-22(27)30-16-17-7-4-3-5-8-17/h2-5,7-8,10-13,19H,1,6,9,14-16H2,(H,23,26)(H,24,27)/t19-/m0/s1
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n/an/a>8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human TGM2


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%