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6 similar compounds to monomer 50440600

Compile data set for download or QSAR
Wt: 427.5
BDBM50392891
Wt: 455.5
BDBM50392892
Wt: 455.5
BDBM50392895
Wt: 441.5
BDBM50392896
Wt: 447.5
BDBM50392897
Wt: 499.6
BDBM50392898

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50392891,50392892,50392895,50392896,50392897,50392898   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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PC sid
UniChem

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Article
PubMed
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 (TG2)


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 2 (TG2)


(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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TG2)


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TG2)


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TG2)


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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