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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50322032'   
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


(Bos taurus (Bovine))
BDBM50322032
PNG
(2-Methylisoindole-1,3-dione-5-yl 3-(4-aminophenyl)...)
Show SMILES CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)cc3)cc2C1=O
Show InChI InChI=1S/C18H16N2O4/c1-20-17(22)14-8-7-13(10-15(14)18(20)23)24-16(21)9-4-11-2-5-12(19)6-3-11/h2-3,5-8,10H,4,9,19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to bovine thrombin after 3 mins


Bioorg Med Chem 18: 5323-38 (2010)


Article DOI: 10.1016/j.bmc.2010.05.037
BindingDB Entry DOI: 10.7270/Q2Z0394Z
More data for this
Ligand-Target Pair