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PubChem AID 2186

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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/M5 chimeric protein


(Homo sapiens)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 0.512n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q290226P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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UniChem

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PCBioAssay
n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q290226P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q290226P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%