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BDBM50111962 1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-benzooxazol-2-ylmethyl)-piperazin-2-one::CHEMBL173210

SMILES: Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5o4)CC3=O)ccc12

InChI Key: InChIKey=FNPPUJYNBUXLTI-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111962   
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))
BDBM50111962
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-benz...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5o4)CC3=O)ccc12
Show InChI InChI=1S/C21H19ClN6O2/c22-14-2-4-18-17(8-14)26-19(30-18)10-27-5-6-28(20(29)11-27)9-13-1-3-15-16(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H2,23,24,25)
PDB
MMDB

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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair