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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50010246'   
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
Prothrombin


(Homo sapiens (Human))
BDBM50010246
PNG
(CHEMBL3247183)
Show SMILES Cl.NC(=[NH2+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H/p+1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
7.94E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010246
PNG
(CHEMBL3247183)
Show SMILES Cl.NC(=[NH2+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H/p+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
1.58E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair