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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50314265   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50314265
PNG
(CHEMBL1091776 | N,N-dimethyl-2-(3-(1-(pyridin-3-yl...)
Show SMILES CC(c1c(CCN(C)C)sc2ccccc12)c1cccnc1
Show InChI InChI=1S/C19H22N2S/c1-14(15-7-6-11-20-13-15)19-16-8-4-5-9-17(16)22-18(19)10-12-21(2)3/h4-9,11,13-14H,10,12H2,1-3H3
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting


Bioorg Med Chem Lett 20: 2316-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.134
BindingDB Entry DOI: 10.7270/Q2P55PG0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50314265
PNG
(CHEMBL1091776 | N,N-dimethyl-2-(3-(1-(pyridin-3-yl...)
Show SMILES CC(c1c(CCN(C)C)sc2ccccc12)c1cccnc1
Show InChI InChI=1S/C19H22N2S/c1-14(15-7-6-11-20-13-15)19-16-8-4-5-9-17(16)22-18(19)10-12-21(2)3/h4-9,11,13-14H,10,12H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assay


Bioorg Med Chem Lett 20: 2316-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.134
BindingDB Entry DOI: 10.7270/Q2P55PG0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50314265
PNG
(CHEMBL1091776 | N,N-dimethyl-2-(3-(1-(pyridin-3-yl...)
Show SMILES CC(c1c(CCN(C)C)sc2ccccc12)c1cccnc1
Show InChI InChI=1S/C19H22N2S/c1-14(15-7-6-11-20-13-15)19-16-8-4-5-9-17(16)22-18(19)10-12-21(2)3/h4-9,11,13-14H,10,12H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

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



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assay


Bioorg Med Chem Lett 20: 2316-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.134
BindingDB Entry DOI: 10.7270/Q2P55PG0
More data for this
Ligand-Target Pair