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BDBM352440 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-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)benzamide::US9808445, 15

SMILES: Cc1cc2c(N)noc2c(n1)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cc(CCO)nn1

InChI Key: InChIKey=AQJLRUPTLNGXMM-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 = 352440   
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))
BDBM352440
PNG
(N-((1S*,4S*,7R*)-2-(3-Amino-5-methylisoxazolo[5,4-...)
Show SMILES Cc1cc2c(N)noc2c(n1)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cc(CCO)nn1
Show InChI InChI=1S/C24H25ClN8O3/c1-12-8-17-21(36-30-22(17)26)23(27-12)32-10-13-2-5-19(32)20(13)28-24(35)16-4-3-15(9-18(16)25)33-11-14(6-7-34)29-31-33/h3-4,8-9,11,13,19-20,34H,2,5-7,10H2,1H3,(H2,26,30)(H,28,35)
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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