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BDBM50072215 1-Methyl-5-[4-(3-phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3-yl]-1,2,3,6-tetrahydro-pyridine::3-(3-((4-phenylbutyl)oxy)-1,2,5-thiadiazol-4-yl)-1,2,5,6-tetrahydro-1-methylpyridine::CHEMBL291351

SMILES: CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1

InChI Key: InChIKey=PXKGUWFDUOGBTO-UHFFFAOYSA-N

Data: 4 IC50  4 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 8 hits for monomerid = 50072215   
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 M2


(Homo sapiens (Human))
BDBM50072215
PNG
(1-Methyl-5-[4-(3-phenyl-prop-2-ynyloxy)-[1,2,5]thi...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-20-11-5-10-15(13-20)16-17(19-22-18-16)21-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,10H,5,11-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 240n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of cAMP in CHO cells expressing human m2 receptor


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50072215
PNG
(1-Methyl-5-[4-(3-phenyl-prop-2-ynyloxy)-[1,2,5]thi...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-20-11-5-10-15(13-20)16-17(19-22-18-16)21-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,10H,5,11-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50072215
PNG
(1-Methyl-5-[4-(3-phenyl-prop-2-ynyloxy)-[1,2,5]thi...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-20-11-5-10-15(13-20)16-17(19-22-18-16)21-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,10H,5,11-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 111n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositol hydrolysis in the mouse fibroblast cell line A9L-M1 expressing Muscarinic acetylcholine receptor M1.


J Med Chem 42: 1999-2006 (1999)


Article DOI: 10.1021/jm9910019
BindingDB Entry DOI: 10.7270/Q2XD12BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50072215
PNG
(1-Methyl-5-[4-(3-phenyl-prop-2-ynyloxy)-[1,2,5]thi...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-20-11-5-10-15(13-20)16-17(19-22-18-16)21-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,10H,5,11-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells in continuous presence of radioligand


Bioorg Med Chem 16: 1376-92 (2008)


Article DOI: 10.1016/j.bmc.2007.10.058
BindingDB Entry DOI: 10.7270/Q2CR5VNC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50072215
PNG
(1-Methyl-5-[4-(3-phenyl-prop-2-ynyloxy)-[1,2,5]thi...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-20-11-5-10-15(13-20)16-17(19-22-18-16)21-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,10H,5,11-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 241n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested for its potency at M-2 receptor by inhibiting forskolin induced c-AMP formation in CHO-M2 cells human M2 receptor


J Med Chem 42: 1999-2006 (1999)


Article DOI: 10.1021/jm9910019
BindingDB Entry DOI: 10.7270/Q2XD12BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50072215
PNG
(1-Methyl-5-[4-(3-phenyl-prop-2-ynyloxy)-[1,2,5]thi...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-20-11-5-10-15(13-20)16-17(19-22-18-16)21-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,10H,5,11-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50072215
PNG
(1-Methyl-5-[4-(3-phenyl-prop-2-ynyloxy)-[1,2,5]thi...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-20-11-5-10-15(13-20)16-17(19-22-18-16)21-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,10H,5,11-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.14E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells by wash-resistant binding method


Bioorg Med Chem 16: 1376-92 (2008)


Article DOI: 10.1016/j.bmc.2007.10.058
BindingDB Entry DOI: 10.7270/Q2CR5VNC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50072215
PNG
(1-Methyl-5-[4-(3-phenyl-prop-2-ynyloxy)-[1,2,5]thi...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-20-11-5-10-15(13-20)16-17(19-22-18-16)21-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,10H,5,11-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]- Oxo-M binding at Muscarinic acetylcholine receptor M2 in rat brain membranes.


J Med Chem 42: 1999-2006 (1999)


Article DOI: 10.1021/jm9910019
BindingDB Entry DOI: 10.7270/Q2XD12BT
More data for this
Ligand-Target Pair