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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Ligand = 'BDBM98603'   
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)
BDBM98603
PNG
(3-amino-N-[4-[[(2S)-2-[[(2R)-2-(benzylsulfonylamin...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C24H29N7O5S/c25-22(26)18-8-6-16(7-9-18)11-28-23(33)20(10-19-12-27-15-29-19)30-24(34)21(13-32)31-37(35,36)14-17-4-2-1-3-5-17/h1-9,12,15,20-21,31-32H,10-11,13-14H2,(H3,25,26)(H,27,29)(H,28,33)(H,30,34)/t20-,21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8.50E+3 -28.8n/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