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BDBM185181 N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]piperazin-1-yl]-2-oxo-ethyl]prop-2-enamide (3h)

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C

InChI Key: InChIKey=PBRTXVPCMZIRCX-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 185181   
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
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Transglutaminase-1 (TG1)


(Homo sapiens (Human))
BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TG2 by fluorescence assay


J Med Chem 60: 554-567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01036
BindingDB Entry DOI: 10.7270/Q2F47RKD
More data for this
Ligand-Target Pair
Transglutaminase-6 (TG6)


(Homo sapiens (Human))
BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair