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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Ligand = 'BDBM98600'   
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


(Rattus norvegicus)
BDBM98600
PNG
((2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxy-pr...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H34N8O5S/c25-21(26)18-10-8-16(9-11-18)13-30-22(34)19(7-4-12-29-24(27)28)31-23(35)20(14-33)32-38(36,37)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,32-33H,4,7,12-15H2,(H3,25,26)(H,30,34)(H,31,35)(H4,27,28,29)/t19-,20+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
4.70E+3 -30.3n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Thrombin


Citation and Details
More data for this
Ligand-Target Pair