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BDBM261722 4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((1SR,2RS)-2-hydroxy- 2-methylcyclohexyl)-2- naphthamide::US9708302, 8

SMILES: C[C@@]1(O)CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F

InChI Key: InChIKey=XWKJCKAMJNNLCF-YBXQMVDHNA-N

Data: 1 EC50

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 = 261722   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM261722
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((1S...)
Show SMILES C[C@@]1(O)CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
Show InChI InChI=1/C24H24ClFN2O2/c1-24(30)11-5-4-8-20(24)28-23(29)19-13-16(12-15-9-10-21(25)27-14-15)17-6-2-3-7-18(17)22(19)26/h2-3,6-7,9-10,13-14,20,30H,4-5,8,11-12H2,1H3,(H,28,29)/t20-,24+/s2
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 524n/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...


US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair