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BDBM13679 3-Oxybenzamide 65::3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl}benzamide

SMILES: COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(Cc2ccncc2)CC1

InChI Key: InChIKey=DFOLWHGZUDJOTI-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13679   
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))
BDBM13679
PNG
(3-Oxybenzamide 65 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-35-26-5-3-23(16-27(26)36-15-10-22-2-4-24(29)17-25(22)30)28(34)32-18-20-8-13-33(14-9-20)19-21-6-11-31-12-7-21/h2-7,11-12,16-17,20H,8-10,13-15,18-19H2,1H3,(H,32,34)
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Article
PubMed
970n/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))
BDBM13679
PNG
(3-Oxybenzamide 65 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-35-26-5-3-23(16-27(26)36-15-10-22-2-4-24(29)17-25(22)30)28(34)32-18-20-8-13-33(14-9-20)19-21-6-11-31-12-7-21/h2-7,11-12,16-17,20H,8-10,13-15,18-19H2,1H3,(H,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
970n/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