new BindingDB logo
myBDB logout

BDBM50164215 2-Nitro-N-[6-(3-nitro-pyridin-2-ylamino)-hexyl]-benzenesulfonamide::CHEMBL191254

SMILES: [O-][N+](=O)c1cccnc1NCCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=RWOCZIYGMWZPLI-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50164215   
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))
BDBM50164215
PNG
(2-Nitro-N-[6-(3-nitro-pyridin-2-ylamino)-hexyl]-be...)
Show SMILES [O-][N+](=O)c1cccnc1NCCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H21N5O6S/c23-21(24)14-8-3-4-10-16(14)29(27,28)20-13-6-2-1-5-11-18-17-15(22(25)26)9-7-12-19-17/h3-4,7-10,12,20H,1-2,5-6,11,13H2,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+5n/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
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair