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BDBM50112158 CHEMBL3608417

SMILES: Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)c(F)c1

InChI Key: InChIKey=ARXNYUWFHDFBSN-UNMCSNQZSA-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 = 50112158   
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)
BDBM50112158
PNG
(CHEMBL3608417)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 51n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50112158
PNG
(CHEMBL3608417)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 30n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair