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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50090599'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50090599
PNG
((S)-2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl...)
Show SMILES COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H22ClN5O6S2/c1-33-21(30)16(8-15-9-23-12-24-15)25-18(28)10-26-4-5-27(11-19(26)29)35(31,32)20-6-13-2-3-14(22)7-17(13)34-20/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3,(H,23,24)(H,25,28)/t16-/m0/s1
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PC cid
PC sid
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PubMed
>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair