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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 = 'BDBM50113883'   
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))
BDBM50113883
PNG
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(1,4-di...)
Show SMILES Cc1cn(C)c(n1)-c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1
Show InChI InChI=1S/C24H21N5O5/c1-13-12-29(2)23(27-13)15-4-3-5-17(8-15)33-20-10-16(24(31)32)11-21(28-20)34-19-9-14(22(25)26)6-7-18(19)30/h3-12,30H,1-2H3,(H3,25,26)(H,31,32)
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PubMed
8.40n/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))
BDBM50113883
PNG
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(1,4-di...)
Show SMILES Cc1cn(C)c(n1)-c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1
Show InChI InChI=1S/C24H21N5O5/c1-13-12-29(2)23(27-13)15-4-3-5-17(8-15)33-20-10-16(24(31)32)11-21(28-20)34-19-9-14(22(25)26)6-7-18(19)30/h3-12,30H,1-2H3,(H3,25,26)(H,31,32)
PDB
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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.40n/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