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BDBM13647 3-Oxybenzamide 33::3-[2-(2,4-dichlorophenyl)ethoxy]-1-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzene-1,4-dicarboxamide

SMILES: Clc1ccc(CCOc2cc(ccc2NC=O)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1

InChI Key: InChIKey=PAURWMOEDJATQA-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13647   
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))
BDBM13647
PNG
(3-Oxybenzamide 33 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES Clc1ccc(CCOc2cc(ccc2NC=O)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-22-3-1-20(24(29)16-22)9-14-36-26-15-21(2-4-25(26)32-18-34)27(35)31-17-19-7-12-33(13-8-19)23-5-10-30-11-6-23/h1-6,10-11,15-16,18-19H,7-9,12-14,17H2,(H,31,35)(H,32,34)
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Article
PubMed
75n/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))
BDBM13647
PNG
(3-Oxybenzamide 33 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES Clc1ccc(CCOc2cc(ccc2NC=O)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-22-3-1-20(24(29)16-22)9-14-36-26-15-21(2-4-25(26)32-18-34)27(35)31-17-19-7-12-33(13-8-19)23-5-10-30-11-6-23/h1-6,10-11,15-16,18-19H,7-9,12-14,17H2,(H,31,35)(H,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
75n/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