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BDBM13632 3-Oxybenzamide 18::4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide

SMILES: COc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1

InChI Key: InChIKey=SUDGKHGTKKJQCF-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 13632   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM13632
PNG
(3-Oxybenzamide 18 | 4-fluoro-3-[2-(4-methoxyphenyl...)
Show SMILES COc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30FN3O3/c1-33-24-5-2-20(3-6-24)12-17-34-26-18-22(4-7-25(26)28)27(32)30-19-21-10-15-31(16-11-21)23-8-13-29-14-9-23/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32)
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Article
PubMed
307n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM13632
PNG
(3-Oxybenzamide 18 | 4-fluoro-3-[2-(4-methoxyphenyl...)
Show SMILES COc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30FN3O3/c1-33-24-5-2-20(3-6-24)12-17-34-26-18-22(4-7-25(26)28)27(32)30-19-21-10-15-31(16-11-21)23-8-13-29-14-9-23/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32)
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Article
PubMed
307n/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))
BDBM13632
PNG
(3-Oxybenzamide 18 | 4-fluoro-3-[2-(4-methoxyphenyl...)
Show SMILES COc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30FN3O3/c1-33-24-5-2-20(3-6-24)12-17-34-26-18-22(4-7-25(26)28)27(32)30-19-21-10-15-31(16-11-21)23-8-13-29-14-9-23/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32)
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Article
PubMed
316n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair