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BDBM50387771 CHEMBL2057767

SMILES: Clc1nccc2c(cccc12)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

InChI Key: InChIKey=YKOABICJHYALBV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50387771   
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))
BDBM50387771
PNG
(CHEMBL2057767)
Show SMILES Clc1nccc2c(cccc12)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H22ClN5O3S/c23-21-19-2-1-3-20(18(19)6-9-25-21)32(30,31)28-14-16(15-28)22(29)27-12-10-26(11-13-27)17-4-7-24-8-5-17/h1-9,16H,10-15H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 741n/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))
BDBM50387771
PNG
(CHEMBL2057767)
Show SMILES Clc1nccc2c(cccc12)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H22ClN5O3S/c23-21-19-2-1-3-20(18(19)6-9-25-21)32(30,31)28-14-16(15-28)22(29)27-12-10-26(11-13-27)17-4-7-24-8-5-17/h1-9,16H,10-15H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 740n/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