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SMILES: C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=VTEJZMXBJRKXDX-YWSKEXGGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50213286   
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/M2/M3/M4/M5


(RAT)
BDBM50213286
PNG
(CHEMBL346580)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccc(Cl)c(Cl)c1 |THB:5:6:12:10.9|
Show InChI InChI=1S/C18H18Cl2N2O/c1-13(2-3-14-4-5-16(19)17(20)10-14)7-9-23-21-18-12-22-8-6-15(18)11-22/h4-5,7,10,15H,6,8-9,11-12H2,1H3/b13-7+,21-18+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 171n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]quinuclidinyl benzilate (QNB) binding assay in membrane preparations of rat neocor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B628P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50213286
PNG
(CHEMBL346580)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccc(Cl)c(Cl)c1 |THB:5:6:12:10.9|
Show InChI InChI=1S/C18H18Cl2N2O/c1-13(2-3-14-4-5-16(19)17(20)10-14)7-9-23-21-18-12-22-8-6-15(18)11-22/h4-5,7,10,15H,6,8-9,11-12H2,1H3/b13-7+,21-18+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B628P
More data for this
Ligand-Target Pair