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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50028995   
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))
BDBM50280567
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-but-2-ynyl-oxim...)
Show SMILES CC#CCO\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
Show InChI InChI=1S/C10H14N2O/c1-2-3-6-13-11-10-8-12-5-4-9(10)7-12/h9H,4-8H2,1H3/b11-10+
UniProtKB/SwissProt

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PC sid
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Article
n/an/an/an/a 1.90E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50280562
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-hepta-2,5-diyny...)
Show SMILES CC#CCC#CCO\N=C1/CN2CCC1C2 |THB:8:9:15:13.12|
Show InChI InChI=1S/C13H16N2O/c1-2-3-4-5-6-9-16-14-13-11-15-8-7-12(13)10-15/h12H,4,7-11H2,1H3/b14-13+
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Article
n/an/an/an/a 5.05E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50065227
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-(3-phenyl-prop-...)
Show SMILES C(O\N=C1/CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C15H16N2O/c1-2-5-13(6-3-1)7-4-10-18-16-15-12-17-9-8-14(15)11-17/h1-3,5-6,14H,8-12H2/b16-15+
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Article
n/an/an/an/a 3.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50280565
PNG
(5-(1-Aza-bicyclo[2.2.1]hept-3-yl)-[1,2,4]oxadiazol...)
Show SMILES Nc1noc(n1)C1CN2CCC1C2 |THB:4:6:12:10.9|
Show InChI InChI=1S/C8H12N4O/c9-8-10-7(13-11-8)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2,(H2,9,11)
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n/an/an/an/a 1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50065205
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-hexa-2,5-diynyl...)
Show SMILES C#CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C12H14N2O/c1-2-3-4-5-8-15-13-12-10-14-7-6-11(12)9-14/h1,11H,3,6-10H2/b13-12+
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Article
n/an/an/an/a 4.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50280572
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-propyl-oxime | ...)
Show SMILES CCCO\N=C1/CN2CCC1C2 |THB:4:5:11:9.8|
Show InChI InChI=1S/C9H16N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h8H,2-7H2,1H3/b10-9+
UniProtKB/SwissProt

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Article
n/an/an/an/a 2.70E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair