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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50420514   
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


(Homo sapiens (Human))
BDBM50420514
PNG
(CHEMBL2086522)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C17H21N3O4S/c1-2-16(21)18-14-5-7-15(8-6-14)25(23,24)20-11-9-19(10-12-20)17(22)13-3-4-13/h2,5-8,13H,1,3-4,9-12H2,(H,18,21)
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PC cid
PC sid
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 by fluorescent transamidation assay


J Med Chem 55: 1021-46 (2012)


Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50420514
PNG
(CHEMBL2086522)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C17H21N3O4S/c1-2-16(21)18-14-5-7-15(8-6-14)25(23,24)20-11-9-19(10-12-20)17(22)13-3-4-13/h2,5-8,13H,1,3-4,9-12H2,(H,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human F13a by fluorescent transamidation assay


J Med Chem 55: 1021-46 (2012)


Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K


(Homo sapiens (Human))
BDBM50420514
PNG
(CHEMBL2086522)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C17H21N3O4S/c1-2-16(21)18-14-5-7-15(8-6-14)25(23,24)20-11-9-19(10-12-20)17(22)13-3-4-13/h2,5-8,13H,1,3-4,9-12H2,(H,18,21)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG1 by fluorescent transamidation assay


J Med Chem 55: 1021-46 (2012)


Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E


(Homo sapiens (Human))
BDBM50420514
PNG
(CHEMBL2086522)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C17H21N3O4S/c1-2-16(21)18-14-5-7-15(8-6-14)25(23,24)20-11-9-19(10-12-20)17(22)13-3-4-13/h2,5-8,13H,1,3-4,9-12H2,(H,18,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


J Med Chem 55: 1021-46 (2012)


Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560
More data for this
Ligand-Target Pair