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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 = 'BDBM13659'   
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))
BDBM13659
PNG
(3-Oxybenzamide 45 | 4-bromo-3-[2-(2,4-dichlorophen...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Br)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28BrCl2N3O3/c1-35-24-14-20(15-25(26(24)28)36-13-8-19-2-3-21(29)16-23(19)30)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34)
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20n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13659
PNG
(3-Oxybenzamide 45 | 4-bromo-3-[2-(2,4-dichlorophen...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Br)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28BrCl2N3O3/c1-35-24-14-20(15-25(26(24)28)36-13-8-19-2-3-21(29)16-23(19)30)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34)
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
20n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair