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BDBM50021938 CHEMBL3298763

SMILES: [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=WTURHVWVCZSMMN-UHFFFAOYSA-N

Data: 3 KI

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 = 50021938   
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)
BDBM50021938
PNG
(CHEMBL3298763)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane


Bioorg Med Chem 22: 3478-87 (2014)


Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50021938
PNG
(CHEMBL3298763)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland


Bioorg Med Chem 22: 3478-87 (2014)


Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50021938
PNG
(CHEMBL3298763)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.640n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart


Bioorg Med Chem 22: 3478-87 (2014)


Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00
More data for this
Ligand-Target Pair