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BDBM13645 3-Oxybenzamide 31::4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide

SMILES: Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1

InChI Key: InChIKey=USTDQHUKYVFTSB-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13645   
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))
BDBM13645
PNG
(3-Oxybenzamide 31 | 4-amino-3-[2-(2,4-dichlorophen...)
Show SMILES Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H28Cl2N4O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17,29H2,(H,31,33)
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29n/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))
BDBM13645
PNG
(3-Oxybenzamide 31 | 4-amino-3-[2-(2,4-dichlorophen...)
Show SMILES Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H28Cl2N4O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17,29H2,(H,31,33)
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UniProtKB/SwissProt

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

Patents

Article
PubMed
29n/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