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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 = 'BDBM50087537'   
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))
BDBM50087537
PNG
((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-yl...)
Show SMILES NC(=N)c1cccc(c1)C1=NO[C@H](Cn2cnnn2)[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10|
Show InChI InChI=1S/C25H23N9O4S/c26-24(27)17-5-3-4-16(12-17)23-22(20(38-31-23)13-34-14-29-32-33-34)25(35)30-18-10-8-15(9-11-18)19-6-1-2-7-21(19)39(28,36)37/h1-12,14,20,22H,13H2,(H3,26,27)(H,30,35)(H2,28,36,37)/t20-,22-/m1/s1
PDB
MMDB

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PC cid
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2.30n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human Coagulation factor X


Bioorg Med Chem Lett 10: 685-9 (2000)


BindingDB Entry DOI: 10.7270/Q21V5D63
More data for this
Ligand-Target Pair