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BDBM352452 N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl)-2-chloro-4-(1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)benzamide TFA salt::US9808445, 27

SMILES: Cc1cc2c(N)noc2c(n1)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1cnc(=O)n(C)c1

InChI Key: InChIKey=SCBYVQUQNORTCO-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 352452   
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 IX


(Homo sapiens (Human))
BDBM352452
PNG
(N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...)
Show SMILES Cc1cc2c(N)noc2c(n1)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1cnc(=O)n(C)c1
Show InChI InChI=1S/C25H24ClN7O3/c1-12-7-17-21(36-31-22(17)27)23(29-12)33-11-14-4-6-19(33)20(14)30-24(34)16-5-3-13(8-18(16)26)15-9-28-25(35)32(2)10-15/h3,5,7-10,14,19-20H,4,6,11H2,1-2H3,(H2,27,31)(H,30,34)
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MMDB

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PC cid
PC sid
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US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US9808445 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NV1
More data for this
Ligand-Target Pair