Found 103 hits with Last Name = 'albert' and Initial = 'mr' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608197
(CHEMBL5276449)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)CNC(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| UniChem
| | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608195
(CHEMBL5282531)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608190
(CHEMBL5280429)Show SMILES Brc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608180
(CHEMBL5286079)Show SMILES CC(C)[C@@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608199
(CHEMBL5270319)Show SMILES C[C@@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608188
(CHEMBL5266794)Show SMILES Clc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608194
(CHEMBL5281708)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608181
(CHEMBL5273187)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608198
(CHEMBL5279745)Show SMILES C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608196
(CHEMBL5267210)Show SMILES CC(C)[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608192
(CHEMBL5290945)Show SMILES C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1F |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608183
(CHEMBL5290460)Show SMILES CC(C)[C@@H](NC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608202
(CHEMBL5278250)Show SMILES CC(C)C[C@@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241228
(CHEMBL4093689)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H36N4O5/c1-2-29(37)33-18-9-8-17-28(34-32(40)41-23-24-11-4-3-5-12-24)31(39)36-21-19-35(20-22-36)30(38)27-16-10-14-25-13-6-7-15-26(25)27/h2-7,10-16,28H,1,8-9,17-23H2,(H,33,37)(H,34,40)/t28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608193
(CHEMBL5279900)Show SMILES C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccc(F)cc1F |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608182
(CHEMBL5286731)Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608191
(CHEMBL5289828)Show SMILES COc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)[C@H](C)NC(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241226
(CHEMBL4079863)Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C22H32N4O6S/c1-3-20(27)23-12-8-7-11-19(24-22(29)32-17-18-9-5-4-6-10-18)21(28)25-13-15-26(16-14-25)33(2,30)31/h3-6,9-10,19H,1,7-8,11-17H2,2H3,(H,23,27)(H,24,29)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241220
(CHEMBL4062721)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H36N4O6S/c1-2-29(36)32-17-9-8-14-28(33-31(38)41-23-24-10-4-3-5-11-24)30(37)34-18-20-35(21-19-34)42(39,40)27-16-15-25-12-6-7-13-26(25)22-27/h2-7,10-13,15-16,22,28H,1,8-9,14,17-21,23H2,(H,32,36)(H,33,38)/t28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608200
(CHEMBL5267941)Show SMILES CCC(C)[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608186
(CHEMBL5287363)Show SMILES Cc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241237
(CHEMBL4084407)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O6S/c1-2-25(32)28-16-10-9-15-24(29-27(34)37-21-22-11-5-3-6-12-22)26(33)30-17-19-31(20-18-30)38(35,36)23-13-7-4-8-14-23/h2-8,11-14,24H,1,9-10,15-21H2,(H,28,32)(H,29,34)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241228
(CHEMBL4093689)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H36N4O5/c1-2-29(37)33-18-9-8-17-28(34-32(40)41-23-24-11-4-3-5-12-24)31(39)36-21-19-35(20-22-36)30(38)27-16-10-14-25-13-6-7-15-26(25)27/h2-7,10-16,28H,1,8-9,17-23H2,(H,33,37)(H,34,40)/t28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241225
(CHEMBL4067612)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H36N4O6S/c1-4-22(29)25-13-9-8-12-21(26-24(31)34-18-20-10-6-5-7-11-20)23(30)27-14-16-28(17-15-27)35(32,33)19(2)3/h4-7,10-11,19,21H,1,8-9,12-18H2,2-3H3,(H,25,29)(H,26,31)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608187
(CHEMBL5278623)Show SMILES C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1Cl |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608184
(CHEMBL5285828)Show SMILES C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1C |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608189
(CHEMBL5278546)Show SMILES C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1Br |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241219
(CHEMBL4061658)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C31H36N4O6S/c1-2-29(36)32-18-9-8-16-27(33-31(38)41-23-24-11-4-3-5-12-24)30(37)34-19-21-35(22-20-34)42(39,40)28-17-10-14-25-13-6-7-15-26(25)28/h2-7,10-15,17,27H,1,8-9,16,18-23H2,(H,32,36)(H,33,38)/t27-/m0/s1 | PDB
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PubMed
| 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241224
(CHEMBL4092161)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)C1CCCCC1 |r| Show InChI InChI=1S/C27H40N4O6S/c1-2-25(32)28-16-10-9-15-24(29-27(34)37-21-22-11-5-3-6-12-22)26(33)30-17-19-31(20-18-30)38(35,36)23-13-7-4-8-14-23/h2-3,5-6,11-12,23-24H,1,4,7-10,13-21H2,(H,28,32)(H,29,34)/t24-/m0/s1 | PDB
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PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241234
(CHEMBL4104504)Show SMILES Oc1ccc2cc(C(=O)N3CCN(CC3)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc3ccccc3)c(=O)oc2c1 |r| Show InChI InChI=1S/C31H34N4O8/c1-2-27(37)32-13-7-6-10-25(33-31(41)42-20-21-8-4-3-5-9-21)29(39)35-16-14-34(15-17-35)28(38)24-18-22-11-12-23(36)19-26(22)43-30(24)40/h2-5,8-9,11-12,18-19,25,36H,1,6-7,10,13-17,20H2,(H,32,37)(H,33,41)/t25-/m0/s1 | PDB
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PubMed
| 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608201
(CHEMBL5272528)Show SMILES CC(C)C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| | PDB
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| | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241218
(CHEMBL4103395)Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H41N5O6S/c1-4-31(39)34-19-9-8-16-28(35-33(41)44-24-25-12-6-5-7-13-25)32(40)37-20-22-38(23-21-37)45(42,43)30-18-11-14-26-27(30)15-10-17-29(26)36(2)3/h4-7,10-15,17-18,28H,1,8-9,16,19-24H2,2-3H3,(H,34,39)(H,35,41)/t28-/m0/s1 | PDB
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| 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241239
(CHEMBL4072990)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C32H36N4O5/c1-2-29(37)33-17-9-8-14-28(34-32(40)41-23-24-10-4-3-5-11-24)31(39)36-20-18-35(19-21-36)30(38)27-16-15-25-12-6-7-13-26(25)22-27/h2-7,10-13,15-16,22,28H,1,8-9,14,17-21,23H2,(H,33,37)(H,34,40)/t28-/m0/s1 | PDB
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| Article
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| 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241223
(CHEMBL4071367)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C28H36N4O6S/c1-2-26(33)29-16-10-9-15-25(30-28(35)38-21-23-11-5-3-6-12-23)27(34)31-17-19-32(20-18-31)39(36,37)22-24-13-7-4-8-14-24/h2-8,11-14,25H,1,9-10,15-22H2,(H,29,33)(H,30,35)/t25-/m0/s1 | PDB
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| 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50608185
(CHEMBL5279051)Show SMILES C[C@@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1C |r| | PDB
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| | 1.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50400625
(CHEMBL2203469)Show SMILES Clc1ccccc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H33ClN4O4/c1-2-25(33)29-15-9-8-13-23(30-27(35)36-20-21-10-4-3-5-11-21)26(34)32-18-16-31(17-19-32)24-14-7-6-12-22(24)28/h2-7,10-12,14,23H,1,8-9,13,15-20H2,(H,29,33)(H,30,35)/t23-/m0/s1 | PDB
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| 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241230
(CHEMBL4064406)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C29H36N4O5/c1-2-26(34)30-16-10-9-15-25(31-29(37)38-22-24-13-7-4-8-14-24)28(36)33-19-17-32(18-20-33)27(35)21-23-11-5-3-6-12-23/h2-8,11-14,25H,1,9-10,15-22H2,(H,30,34)(H,31,37)/t25-/m0/s1 | PDB
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PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241232
(CHEMBL4097427)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccnc1 |r| Show InChI InChI=1S/C27H33N5O5/c1-2-24(33)29-14-7-6-12-23(30-27(36)37-20-21-9-4-3-5-10-21)26(35)32-17-15-31(16-18-32)25(34)22-11-8-13-28-19-22/h2-5,8-11,13,19,23H,1,6-7,12,14-18,20H2,(H,29,33)(H,30,36)/t23-/m0/s1 | PDB
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PubMed
| 2.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241216
(CHEMBL4079148)Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H39N5O6S/c1-4-29(37)32-19-9-8-16-26(35-31(39)42-22-23-12-6-5-7-13-23)30(38)33-20-21-34-43(40,41)28-18-11-14-24-25(28)15-10-17-27(24)36(2)3/h4-7,10-15,17-18,26,34H,1,8-9,16,19-22H2,2-3H3,(H,32,37)(H,33,38)(H,35,39)/t26-/m0/s1 | PDB
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PubMed
| 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by double reciprocal plot method |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241241
(CHEMBL4102452)Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N5O6S/c1-4-31(39)34-21-9-8-18-28(37-33(41)44-24-25-14-6-5-7-15-25)32(40)35-22-10-11-23-36-45(42,43)30-20-13-16-26-27(30)17-12-19-29(26)38(2)3/h4-7,12-17,19-20,28,36H,1,8-11,18,21-24H2,2-3H3,(H,34,39)(H,35,40)(H,37,41)/t28-/m0/s1 | PDB
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| 2.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by double reciprocal plot method |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50400644
(CHEMBL2203460)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H29N3O5/c1-2-19(25)22-11-7-6-10-18(20(26)24-12-14-28-15-13-24)23-21(27)29-16-17-8-4-3-5-9-17/h2-5,8-9,18H,1,6-7,10-16H2,(H,22,25)(H,23,27)/t18-/m0/s1 | PDB
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| 2.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241215
(CHEMBL4084496)Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H41N5O6S/c1-4-30(38)33-20-9-8-17-27(36-32(40)43-23-24-13-6-5-7-14-24)31(39)34-21-12-22-35-44(41,42)29-19-11-15-25-26(29)16-10-18-28(25)37(2)3/h4-7,10-11,13-16,18-19,27,35H,1,8-9,12,17,20-23H2,2-3H3,(H,33,38)(H,34,39)(H,36,40)/t27-/m0/s1 | PDB
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| 3.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by double reciprocal plot method |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241231
(CHEMBL4102329)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccccn1 |r| Show InChI InChI=1S/C27H33N5O5/c1-2-24(33)29-15-9-7-13-23(30-27(36)37-20-21-10-4-3-5-11-21)26(35)32-18-16-31(17-19-32)25(34)22-12-6-8-14-28-22/h2-6,8,10-12,14,23H,1,7,9,13,15-20H2,(H,29,33)(H,30,36)/t23-/m0/s1 | PDB
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| 3.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241217
(CHEMBL4099998)Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCOCCOCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N5O8S/c1-4-33(41)36-19-9-8-16-30(39-35(43)48-26-27-12-6-5-7-13-27)34(42)37-20-22-46-24-25-47-23-21-38-49(44,45)32-18-11-14-28-29(32)15-10-17-31(28)40(2)3/h4-7,10-15,17-18,30,38H,1,8-9,16,19-26H2,2-3H3,(H,36,41)(H,37,42)(H,39,43)/t30-/m0/s1 | PDB
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| 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241214
(CHEMBL4094701)Show SMILES NC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C17H23N3O4/c1-2-15(21)19-11-7-6-10-14(16(18)22)20-17(23)24-12-13-8-4-3-5-9-13/h2-5,8-9,14H,1,6-7,10-12H2,(H2,18,22)(H,19,21)(H,20,23)/t14-/m0/s1 | PDB
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| Article
PubMed
| 3.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by double reciprocal plot method |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241238
(CHEMBL4088837)Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C23H34N4O6S/c1-3-21(28)24-13-9-8-12-20(25-23(30)33-18-19-10-6-5-7-11-19)22(29)26-14-16-27(17-15-26)34(31,32)4-2/h3,5-7,10-11,20H,1,4,8-9,12-18H2,2H3,(H,24,28)(H,25,30)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241229
(CHEMBL4085939)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H34N4O5/c1-2-25(33)29-16-10-9-15-24(30-28(36)37-21-22-11-5-3-6-12-22)27(35)32-19-17-31(18-20-32)26(34)23-13-7-4-8-14-23/h2-8,11-14,24H,1,9-10,15-21H2,(H,29,33)(H,30,36)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241233
(CHEMBL4069260)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccncc1 |r| Show InChI InChI=1S/C27H33N5O5/c1-2-24(33)29-13-7-6-10-23(30-27(36)37-20-21-8-4-3-5-9-21)26(35)32-18-16-31(17-19-32)25(34)22-11-14-28-15-12-22/h2-5,8-9,11-12,14-15,23H,1,6-7,10,13,16-20H2,(H,29,33)(H,30,36)/t23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241236
(CHEMBL4074199)Show SMILES COC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C20H27N3O6/c1-3-17(24)21-12-8-7-11-16(19(26)22-13-18(25)28-2)23-20(27)29-14-15-9-5-4-6-10-15/h3-6,9-10,16H,1,7-8,11-14H2,2H3,(H,21,24)(H,22,26)(H,23,27)/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241227
(CHEMBL4098628)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccs1 |r| Show InChI InChI=1S/C25H32N4O6S2/c1-2-22(30)26-13-7-6-11-21(27-25(32)35-19-20-9-4-3-5-10-20)24(31)28-14-16-29(17-15-28)37(33,34)23-12-8-18-36-23/h2-5,8-10,12,18,21H,1,6-7,11,13-17,19H2,(H,26,30)(H,27,32)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description
Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070
BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this
Ligand-Target Pair | |
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