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BDBM50093311 3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl}-N-methyl-benzamidine::CHEMBL131796

SMILES: CNC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2C(C)CCCC2C)C1=O

InChI Key: InChIKey=ULAGMSSZKBSTNR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093311   
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))
BDBM50093311
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CNC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2C(C)CCCC2C)C1=O
Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30-3/h5-6,10,13-16,19-21,26H,4,7-9,11-12,17-18H2,1-3H3,(H2,29,30)
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MMDB

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Similars

PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair