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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 = 'BDBM50067532'   
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


(Bos taurus)
BDBM50067532
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)
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PC cid
PC sid
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Similars

Article
PubMed
840n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067532
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)
PDB
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair