BindingDB logo
myBDB logout

1 similar compounds to monomer 50314594

Compile data set for download or QSAR
Wt: 379.8
BDBM50314599

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50314599   
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))
BDBM50314599
PNG
(CHEMBL1093933 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
Show InChI InChI=1S/C19H20ClF2N3O/c1-2-24-7-9-25(10-8-24)18-6-4-14(12-15(18)20)23-19(26)13-3-5-16(21)17(22)11-13/h3-6,11-12H,2,7-10H2,1H3,(H,23,26)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+3n/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 M2


(Homo sapiens (Human))
BDBM50314599
PNG
(CHEMBL1093933 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
Show InChI InChI=1S/C19H20ClF2N3O/c1-2-24-7-9-25(10-8-24)18-6-4-14(12-15(18)20)23-19(26)13-3-5-16(21)17(22)11-13/h3-6,11-12H,2,7-10H2,1H3,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells coexpressing Gqi5 chimeric G-protein assessed as inhibition of acetylch...


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))
BDBM50314599
PNG
(CHEMBL1093933 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
Show InChI InChI=1S/C19H20ClF2N3O/c1-2-24-7-9-25(10-8-24)18-6-4-14(12-15(18)20)23-19(26)13-3-5-16(21)17(22)11-13/h3-6,11-12H,2,7-10H2,1H3,(H,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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 M4


(Homo sapiens (Human))
BDBM50314599
PNG
(CHEMBL1093933 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
Show InChI InChI=1S/C19H20ClF2N3O/c1-2-24-7-9-25(10-8-24)18-6-4-14(12-15(18)20)23-19(26)13-3-5-16(21)17(22)11-13/h3-6,11-12H,2,7-10H2,1H3,(H,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor expressed in CHO-K1 cells coexpressing Gqi5 chimeric G-protein assessed as inhibition of acetylch...


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))
BDBM50314599
PNG
(CHEMBL1093933 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
Show InChI InChI=1S/C19H20ClF2N3O/c1-2-24-7-9-25(10-8-24)18-6-4-14(12-15(18)20)23-19(26)13-3-5-16(21)17(22)11-13/h3-6,11-12H,2,7-10H2,1H3,(H,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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