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BDBM261733 1-fluoro-N-[(3S,4R)- 3-hydroxytetra- hydropyran-4-yl]-4- [[6-(1-methylpyrazol- 4-yl)-3-pyridyl]methyl]- naphthalene-2- carboxamide::US9708302, 19

SMILES: Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@@H]3CCOC[C@H]3O)c(F)c3ccccc23)cn1

InChI Key: InChIKey=PQZBCCGOIMNBLV-DNQXCXABSA-N

Data: 2 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 2 hits for monomerid = 261733   
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


(RAT)
BDBM261733
PNG
(1-fluoro-N-[(3S,4R)- 3-hydroxytetra- hydropyran-4-...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@@H]3CCOC[C@H]3O)c(F)c3ccccc23)cn1 |r|
Show InChI InChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 97n/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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM261733
PNG
(1-fluoro-N-[(3S,4R)- 3-hydroxytetra- hydropyran-4-...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@@H]3CCOC[C@H]3O)c(F)c3ccccc23)cn1 |r|
Show InChI InChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 65n/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