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BDBM50135215 CHEMBL3745724

SMILES: Cc1ccc2n(Cc3ccc(cc3)-c3ccn(C)n3)cc(C(=O)N[C@H]3CCOC[C@@H]3O)c2n1

InChI Key: InChIKey=LFFQWOVZSJTNST-GMAHTHKFSA-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 = 50135215   
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))
BDBM50135215
PNG
(CHEMBL3745724)
Show SMILES Cc1ccc2n(Cc3ccc(cc3)-c3ccn(C)n3)cc(C(=O)N[C@H]3CCOC[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C25H27N5O3/c1-16-3-8-22-24(26-16)19(25(32)27-21-10-12-33-15-23(21)31)14-30(22)13-17-4-6-18(7-5-17)20-9-11-29(2)28-20/h3-9,11,14,21,23,31H,10,12-13,15H2,1-2H3,(H,27,32)/t21-,23-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 255n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as increase in ACh-induced intracellular calcium level...


Bioorg Med Chem Lett 28: 2068-2073 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.054
BindingDB Entry DOI: 10.7270/Q2TB19HB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135215
PNG
(CHEMBL3745724)
Show SMILES Cc1ccc2n(Cc3ccc(cc3)-c3ccn(C)n3)cc(C(=O)N[C@H]3CCOC[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C25H27N5O3/c1-16-3-8-22-24(26-16)19(25(32)27-21-10-12-33-15-23(21)31)14-30(22)13-17-4-6-18(7-5-17)20-9-11-29(2)28-20/h3-9,11,14,21,23,31H,10,12-13,15H2,1-2H3,(H,27,32)/t21-,23-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 293n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 650-5 (2016)


BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair