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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 = 'BDBM50078544'   
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))
BDBM50078544
PNG
(3-[(3R,3aS,8aS)-1-Benzenesulfonyl-3-(4-carbamimido...)
Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C33H38N4O4S/c1-3-36(4-2)32(38)25-12-10-11-22(19-25)23-17-18-24-21-29-31(28(24)20-23)27(15-8-9-16-30(34)35)33(39)37(29)42(40,41)26-13-6-5-7-14-26/h5-7,10-14,17-20,27,29,31H,3-4,8-9,15-16,21H2,1-2H3,(H3,34,35)/t27-,29+,31+/m1/s1
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MMDB

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PC cid
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n/an/a 74n/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