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BDBM50420471 CHEMBL2086530

SMILES: Cc1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1

InChI Key: InChIKey=LXGRQANYXIETIX-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50420471   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50420471
PNG
(CHEMBL2086530)
Show SMILES Cc1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C19H22N4O3S/c1-3-18(24)21-16-6-8-17(9-7-16)27(25,26)23-13-11-22(12-14-23)19-15(2)5-4-10-20-19/h3-10H,1,11-14H2,2H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human TG2 in HEK cells by fluorescent transamidation assay


J Med Chem 55: 1021-46 (2012)

More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50420471
PNG
(CHEMBL2086530)
Show SMILES Cc1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C19H22N4O3S/c1-3-18(24)21-16-6-8-17(9-7-16)27(25,26)23-13-11-22(12-14-23)19-15(2)5-4-10-20-19/h3-10H,1,11-14H2,2H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 25n/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)

More data for this
Ligand-Target Pair
Transglutaminase-1 (TG1)


(Homo sapiens (Human))
BDBM50420471
PNG
(CHEMBL2086530)
Show SMILES Cc1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C19H22N4O3S/c1-3-18(24)21-16-6-8-17(9-7-16)27(25,26)23-13-11-22(12-14-23)19-15(2)5-4-10-20-19/h3-10H,1,11-14H2,2H3,(H,21,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+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)

More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50420471
PNG
(CHEMBL2086530)
Show SMILES Cc1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C19H22N4O3S/c1-3-18(24)21-16-6-8-17(9-7-16)27(25,26)23-13-11-22(12-14-23)19-15(2)5-4-10-20-19/h3-10H,1,11-14H2,2H3,(H,21,24)
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 340n/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)

More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420471
PNG
(CHEMBL2086530)
Show SMILES Cc1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C19H22N4O3S/c1-3-18(24)21-16-6-8-17(9-7-16)27(25,26)23-13-11-22(12-14-23)19-15(2)5-4-10-20-19/h3-10H,1,11-14H2,2H3,(H,21,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20E+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)

More data for this
Ligand-Target Pair