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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50072448'   
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))
BDBM50072448
PNG
(CHEMBL18767 | {(3-Carbamimidoyl-phenyl)-[3-(2'-sul...)
Show SMILES COC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H28N4O4S/c1-33-24(30)17-29(21-8-4-7-20(16-21)25(26)27)15-5-6-18-11-13-19(14-12-18)22-9-2-3-10-23(22)34(28,31)32/h2-4,7-14,16H,5-6,15,17H2,1H3,(H3,26,27)(H2,28,31,32)
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PC cid
PC sid
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PubMed
1.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X in an enzyme inhibition assay.


Bioorg Med Chem Lett 9: 1195-200 (1999)


BindingDB Entry DOI: 10.7270/Q20V8BZZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50072448
PNG
(CHEMBL18767 | {(3-Carbamimidoyl-phenyl)-[3-(2'-sul...)
Show SMILES COC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H28N4O4S/c1-33-24(30)17-29(21-8-4-7-20(16-21)25(26)27)15-5-6-18-11-13-19(14-12-18)22-9-2-3-10-23(22)34(28,31)32/h2-4,7-14,16H,5-6,15,17H2,1H3,(H3,26,27)(H2,28,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair