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BDBM50185425 CHEMBL3823474

SMILES: Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1

InChI Key: InChIKey=IRICKCQWXSQVCK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50185425   
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))
BDBM50185425
PNG
(CHEMBL3823474)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185425
PNG
(CHEMBL3823474)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.27E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185425
PNG
(CHEMBL3823474)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair