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SMILES: Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc34)ccc12

InChI Key: InChIKey=LYJAMSDSQDEVPS-PXNSSMCTSA-N

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 = 50112157   
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)
BDBM50112157
PNG
(CHEMBL3608418)
Show SMILES Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc34)ccc12 |r|
Show InChI InChI=1S/C22H23N5O3/c1-26-18-5-4-14(9-15(18)10-24-26)11-27-12-16(21-19(27)3-2-7-23-21)22(29)25-17-13-30-8-6-20(17)28/h2-5,7,9-10,12,17,20,28H,6,8,11,13H2,1H3,(H,25,29)/t17-,20-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 163n/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))
BDBM50112157
PNG
(CHEMBL3608418)
Show SMILES Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc34)ccc12 |r|
Show InChI InChI=1S/C22H23N5O3/c1-26-18-5-4-14(9-15(18)10-24-26)11-27-12-16(21-19(27)3-2-7-23-21)22(29)25-17-13-30-8-6-20(17)28/h2-5,7,9-10,12,17,20,28H,6,8,11,13H2,1H3,(H,25,29)/t17-,20-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 72n/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