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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Ligand = 'BDBM98584'   
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)
BDBM98584
PNG
(3-[[(1R)-2-[[(1S)-2-[(4-carbamimidoylphenyl)methyl...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H27N5O7S/c1-13(20(29)25-10-14-5-7-16(8-6-14)19(23)24)26-21(30)18(11-28)27-35(33,34)12-15-3-2-4-17(9-15)22(31)32/h2-9,13,18,27-28H,10-12H2,1H3,(H3,23,24)(H,25,29)(H,26,30)(H,31,32)/t13-,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
8.30E+3 -28.9n/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