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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Ligand = 'BDBM98579'   
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)
BDBM98579
PNG
(US8476306, 6.4 | methyl 4-[[(1R)-2-[[2-[(4-carbami...)
Show SMILES COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H27N5O7S/c1-34-22(31)17-8-4-15(5-9-17)13-35(32,33)27-18(12-28)21(30)26-11-19(29)25-10-14-2-6-16(7-3-14)20(23)24/h2-9,18,27-28H,10-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
9.40E+3 -28.6n/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