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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50420522   
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 (TG2)


(Homo sapiens (Human))
BDBM50420522
PNG
(CHEMBL2089388)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-18-8-10-19(11-9-18)30(27,28)24-14-12-23(13-15-24)21(26)29-16-17-6-4-3-5-7-17/h2-11H,1,12-16H2,(H,22,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/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


(Homo sapiens (Human))
BDBM50420522
PNG
(CHEMBL2089388)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-18-8-10-19(11-9-18)30(27,28)24-14-12-23(13-15-24)21(26)29-16-17-6-4-3-5-7-17/h2-11H,1,12-16H2,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/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
Transglutaminase-1 (TG1)


(Homo sapiens (Human))
BDBM50420522
PNG
(CHEMBL2089388)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-18-8-10-19(11-9-18)30(27,28)24-14-12-23(13-15-24)21(26)29-16-17-6-4-3-5-7-17/h2-11H,1,12-16H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+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
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420522
PNG
(CHEMBL2089388)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-18-8-10-19(11-9-18)30(27,28)24-14-12-23(13-15-24)21(26)29-16-17-6-4-3-5-7-17/h2-11H,1,12-16H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.00E+4n/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