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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 = 'BDBM50078545'   
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))
BDBM50078545
PNG
(Acetic acid (3R,3aS,8aS)-3-(4-carbamimidoyl-butyl)...)
Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3COC(C)=O)c2c1
Show InChI InChI=1S/C30H38N4O4/c1-4-33(5-2)29(36)23-10-8-9-20(15-23)21-13-14-22-17-26-28(25(22)16-21)24(11-6-7-12-27(31)32)30(37)34(26)18-38-19(3)35/h8-10,13-16,24,26,28H,4-7,11-12,17-18H2,1-3H3,(H3,31,32)/t24-,26+,28+/m1/s1
PDB
MMDB

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Similars

PubMed
n/an/a 1.40E+4n/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