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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 = 'BDBM50078556'   
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))
BDBM50078556
PNG
(3-[(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-2-oxo-1-...)
Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)CC)c2c1
Show InChI InChI=1S/C30H38N4O3/c1-4-27(35)34-25-18-21-15-14-20(19-10-9-11-22(16-19)29(36)33(5-2)6-3)17-24(21)28(25)23(30(34)37)12-7-8-13-26(31)32/h9-11,14-17,23,25,28H,4-8,12-13,18H2,1-3H3,(H3,31,32)/t23-,25+,28+/m1/s1
PDB
MMDB

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PubMed
n/an/a 9.90E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of activated Coagulation factor X


Bioorg Med Chem Lett 9: 1657-62 (1999)


BindingDB Entry DOI: 10.7270/Q2VT1R8Q
More data for this
Ligand-Target Pair