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BDBM48045 3-amino-N-(2-fluorobenzyl)-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide::3-amino-N-[(2-fluorophenyl)methyl]-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxamide::3-amino-N-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide::3-azanyl-N-[(2-fluorophenyl)methyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide::VU0402471-1::cid_44176127

SMILES: Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F

InChI Key: InChIKey=CGFVUNKRJXACED-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 = 48045   
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 M4


(RAT)
BDBM48045
PNG
(3-amino-N-(2-fluorobenzyl)-4,6-dimethyl-thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C17H16FN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 0.000873n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM48045
PNG
(3-amino-N-(2-fluorobenzyl)-4,6-dimethyl-thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C17H16FN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO Flp-In cells assessed as stimulation of acetylcholine-induced ERK1/2 ...


J Med Chem 56: 8196-200 (2013)


Article DOI: 10.1021/jm401032k
BindingDB Entry DOI: 10.7270/Q2HT2S8D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM48045
PNG
(3-amino-N-(2-fluorobenzyl)-4,6-dimethyl-thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C17H16FN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 126n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO Flp-In cells assessed as stimulation of acetylcholine-induced ERK1/2 ...


J Med Chem 56: 8196-200 (2013)


Article DOI: 10.1021/jm401032k
BindingDB Entry DOI: 10.7270/Q2HT2S8D
More data for this
Ligand-Target Pair