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BDBM50164216 CHEMBL190022::N-[6-(Imidazo[1,2-d][1,2,4]thiadiazol-3-yl-methyl-amino)-hexyl]-2-nitro-benzenesulfonamide

SMILES: CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12

InChI Key: InChIKey=KVEWIDVUDOCYLN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50164216   
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


(Homo sapiens (Human))
BDBM50164216
PNG
(CHEMBL190022 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C17H22N6O4S2/c1-21(16-20-28-17-18-11-13-22(16)17)12-7-3-2-6-10-19-29(26,27)15-9-5-4-8-14(15)23(24)25/h4-5,8-9,11,13,19H,2-3,6-7,10,12H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
More data for this
Ligand-Target Pair
Transglutaminase-1 (TG1)


(Homo sapiens (Human))
BDBM50164216
PNG
(CHEMBL190022 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C17H22N6O4S2/c1-21(16-20-28-17-18-11-13-22(16)17)12-7-3-2-6-10-19-29(26,27)15-9-5-4-8-14(15)23(24)25/h4-5,8-9,11,13,19H,2-3,6-7,10,12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against guinea pig liver transglutaminase


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
More data for this
Ligand-Target Pair