BindingDB logo
myBDB logout

BDBM352423 N-((1S*,4S*,7R*)-2-(3-Aminoisoxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl)-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide::US9808445, 2

SMILES: Cc1ncn(n1)-c1ccc(C(=O)NC2C3CCC2N(C3)c2nccc3c(N)noc23)c(Cl)c1

InChI Key: InChIKey=WBDHYAPOACOYPF-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 352423   
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))
BDBM352423
PNG
(N-((1S*,4S*,7R*)-2-(3-Aminoisoxazolo[5,4-c]pyridin...)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)NC2C3CCC2N(C3)c2nccc3c(N)noc23)c(Cl)c1
Show InChI InChI=1S/C22H21ClN8O2/c1-11-26-10-31(28-11)13-3-4-14(16(23)8-13)22(32)27-18-12-2-5-17(18)30(9-12)21-19-15(6-7-25-21)20(24)29-33-19/h3-4,6-8,10,12,17-18H,2,5,9H2,1H3,(H2,24,29)(H,27,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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