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BDBM50314594 CHEMBL1090094::N-(3-chloro-4-(4-ethylpiperazin-1-yl)phenyl)-2,3,4,5,6-pentafluorobenzamide

SMILES: CCN1CCN(CC1)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl

InChI Key: InChIKey=QKFHNOPORKWPCI-UHFFFAOYSA-N

Data: 3 IC50

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 = 50314594   
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))
BDBM50314594
PNG
(CHEMBL1090094 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl
Show InChI InChI=1S/C19H17ClF5N3O/c1-2-27-5-7-28(8-6-27)12-4-3-10(9-11(12)20)26-19(29)13-14(21)16(23)18(25)17(24)15(13)22/h3-4,9H,2,5-8H2,1H3,(H,26,29)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine-induced calcium mobilization


Bioorg Med Chem Lett 20: 2174-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.041
BindingDB Entry DOI: 10.7270/Q2D50N38
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50314594
PNG
(CHEMBL1090094 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl
Show InChI InChI=1S/C19H17ClF5N3O/c1-2-27-5-7-28(8-6-27)12-4-3-10(9-11(12)20)26-19(29)13-14(21)16(23)18(25)17(24)15(13)22/h3-4,9H,2,5-8H2,1H3,(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 830n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M5 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine-induced calcium mobilization


Bioorg Med Chem Lett 20: 2174-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.041
BindingDB Entry DOI: 10.7270/Q2D50N38
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50314594
PNG
(CHEMBL1090094 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl
Show InChI InChI=1S/C19H17ClF5N3O/c1-2-27-5-7-28(8-6-27)12-4-3-10(9-11(12)20)26-19(29)13-14(21)16(23)18(25)17(24)15(13)22/h3-4,9H,2,5-8H2,1H3,(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine-induced calcium mobilization


Bioorg Med Chem Lett 20: 2174-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.041
BindingDB Entry DOI: 10.7270/Q2D50N38
More data for this
Ligand-Target Pair