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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50066617'   
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))
BDBM50066617
PNG
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...)
Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1
Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)
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26n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066617
PNG
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...)
Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1
Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)
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26n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory constant against human coagulation factor Xa (fXa)


J Med Chem 45: 2484-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0FTH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066617
PNG
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...)
Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1
Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)
PDB
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Article
PubMed
26n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human Coagulation factor X was determined


J Med Chem 46: 5691-9 (2003)


Article DOI: 10.1021/jm030288d
BindingDB Entry DOI: 10.7270/Q23J3CCP
More data for this
Ligand-Target Pair