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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin and coagulation factor X' and Ligand = 'BDBM14122'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14122
PNG
((2S)-N-(5-carbamimidamido-1-oxo-1-{3-thia-5-azatri...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccc3ccccc3c2s1
Show InChI InChI=1/C32H37N7O3S/c1-35-25(19-20-9-3-2-4-10-20)31(42)39-18-8-14-26(39)29(41)37-23(13-7-17-36-32(33)34)27(40)30-38-24-16-15-21-11-5-6-12-22(21)28(24)43-30/h2-6,9-12,15-16,23,25-26,35H,7-8,13-14,17-19H2,1H3,(H,37,41)(H4,33,34,36)/t23?,25-,26+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.580n/a 60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair