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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2 and M4' and Ligand = 'BDBM50229871'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50229871
PNG
(CHEMBL316804)
Show SMILES [I-].C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1F
Show InChI InChI=1S/C9H19FNO.HI/c1-7-9(10)5-8(12-7)6-11(2,3)4;/h7-9H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.70E+3n/an/an/an/an/a



C.N.R.-Centro Studio Sostanze Organiche Naturali

Curated by ChEMBL


Assay Description
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis


J Med Chem 35: 3102-10 (1992)


Article DOI: 10.1021/jm00095a003
BindingDB Entry DOI: 10.7270/Q25Q4ZB0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50229871
PNG
(CHEMBL316804)
Show SMILES [I-].C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1F
Show InChI InChI=1S/C9H19FNO.HI/c1-7-9(10)5-8(12-7)6-11(2,3)4;/h7-9H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.14E+4n/an/an/an/an/a



C.N.R.-Centro Studio Sostanze Organiche Naturali

Curated by ChEMBL


Assay Description
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis


J Med Chem 35: 3102-10 (1992)


Article DOI: 10.1021/jm00095a003
BindingDB Entry DOI: 10.7270/Q25Q4ZB0
More data for this
Ligand-Target Pair