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BDBM50387785 CHEMBL2057769

SMILES: Cc1cc2c(cccc2cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

InChI Key: InChIKey=XNGLKGBGCMNAOZ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50387785   
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))
BDBM50387785
PNG
(CHEMBL2057769)
Show SMILES Cc1cc2c(cccc2cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-21-18(14-25-17)3-2-4-22(21)32(30,31)28-15-19(16-28)23(29)27-11-9-26(10-12-27)20-5-7-24-8-6-20/h2-8,13-14,19H,9-12,15-16H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.14E+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 cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387785
PNG
(CHEMBL2057769)
Show SMILES Cc1cc2c(cccc2cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-21-18(14-25-17)3-2-4-22(21)32(30,31)28-15-19(16-28)23(29)27-11-9-26(10-12-27)20-5-7-24-8-6-20/h2-8,13-14,19H,9-12,15-16H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+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 cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair