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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50036146   
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


(RAT)
BDBM50044692
PNG
(3-tert-Butyl-8-methyl-2-thioxo-1-oxa-3,8-diaza-spi...)
Show SMILES CN1CCC2(CC1)OC(=S)N(C2=O)C(C)(C)C
Show InChI InChI=1S/C12H20N2O2S/c1-11(2,3)14-9(15)12(16-10(14)17)5-7-13(4)8-6-12/h5-8H2,1-4H3
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210n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038212
PNG
(2-Ethyl-8-methyl-2,8-diaza-spiro[4.5]decane-1,3-di...)
Show SMILES CCN1C(=O)CC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C11H18N2O2/c1-3-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11/h3-8H2,1-2H3
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460n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044702
PNG
(3-Ethyl-8-methyl-2-thioxo-1-oxa-3,8-diaza-spiro[4....)
Show SMILES CCN1C(=S)OC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C10H16N2O2S/c1-3-12-8(13)10(14-9(12)15)4-6-11(2)7-5-10/h3-7H2,1-2H3
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890n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50038212
PNG
(2-Ethyl-8-methyl-2,8-diaza-spiro[4.5]decane-1,3-di...)
Show SMILES CCN1C(=O)CC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C11H18N2O2/c1-3-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11/h3-8H2,1-2H3
PDB

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970n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Compound tested in vitro for displacement of [3H]quinuclidinyl benzilate from rat cerebellum membrane expressing muscarinic M2 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044704
PNG
(3-tert-Butyl-8-methyl-1-oxa-3,8-diaza-spiro[4.5]de...)
Show SMILES CN1CCC2(CC1)OC(=O)N(C2=O)C(C)(C)C
Show InChI InChI=1S/C12H20N2O3/c1-11(2,3)14-9(15)12(17-10(14)16)5-7-13(4)8-6-12/h5-8H2,1-4H3
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1.50E+3n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50044692
PNG
(3-tert-Butyl-8-methyl-2-thioxo-1-oxa-3,8-diaza-spi...)
Show SMILES CN1CCC2(CC1)OC(=S)N(C2=O)C(C)(C)C
Show InChI InChI=1S/C12H20N2O2S/c1-11(2,3)14-9(15)12(16-10(14)17)5-7-13(4)8-6-12/h5-8H2,1-4H3
PDB

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2.10E+3n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Compound tested in vitro for displacement of [3H]quinuclidinyl benzilate from rat cerebellum membrane expressing muscarinic M2 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044701
PNG
(8-Methyl-3-phenyl-2-thioxo-1-oxa-3,8-diaza-spiro[4...)
Show SMILES CN1CCC2(CC1)OC(=S)N(C2=O)c1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c1-15-9-7-14(8-10-15)12(17)16(13(19)18-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
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4.00E+3n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50044702
PNG
(3-Ethyl-8-methyl-2-thioxo-1-oxa-3,8-diaza-spiro[4....)
Show SMILES CCN1C(=S)OC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C10H16N2O2S/c1-3-12-8(13)10(14-9(12)15)4-6-11(2)7-5-10/h3-7H2,1-2H3
PDB

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4.30E+3n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Compound tested in vitro for displacement of [3H]quinuclidinyl benzilate from rat cerebellum membrane expressing muscarinic M2 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044696
PNG
(3-Ethyl-8-methyl-1-oxa-3,8-diaza-spiro[4.5]decane-...)
Show SMILES CCN1C(=O)OC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C10H16N2O3/c1-3-12-8(13)10(15-9(12)14)4-6-11(2)7-5-10/h3-7H2,1-2H3
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5.00E+3n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044695
PNG
(3-Allyl-8-methyl-1-oxa-3,8-diaza-spiro[4.5]decane-...)
Show SMILES CN1CCC2(CC1)OC(=O)N(CC=C)C2=O
Show InChI InChI=1S/C11H16N2O3/c1-3-6-13-9(14)11(16-10(13)15)4-7-12(2)8-5-11/h3H,1,4-8H2,2H3
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5.10E+3n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044688
PNG
(4-(8-Methyl-2,4-dioxo-1-oxa-3,8-diaza-spiro[4.5]de...)
Show SMILES COC(=O)CCCN1C(=O)OC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C13H20N2O5/c1-14-8-5-13(6-9-14)11(17)15(12(18)20-13)7-3-4-10(16)19-2/h3-9H2,1-2H3
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6.40E+3n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044708
PNG
(3-Ethyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-dione...)
Show SMILES CCN1C(=O)OC2(CCNCC2)C1=O
Show InChI InChI=1S/C9H14N2O3/c1-2-11-7(12)9(14-8(11)13)3-5-10-6-4-9/h10H,2-6H2,1H3
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7.80E+3n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50044696
PNG
(3-Ethyl-8-methyl-1-oxa-3,8-diaza-spiro[4.5]decane-...)
Show SMILES CCN1C(=O)OC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C10H16N2O3/c1-3-12-8(13)10(15-9(12)14)4-6-11(2)7-5-10/h3-7H2,1-2H3
PDB

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7.80E+3n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Tested against muscarinic M2 receptor by displacement of [3H]quinuclidinyl benzilate from rat cerebellum membrane


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044706
PNG
(3-Ethyl-7-methyl-1-oxa-3,7-diaza-spiro[4.5]decane-...)
Show SMILES CCN1C(=O)OC2(CCCN(C)C2)C1=O
Show InChI InChI=1S/C10H16N2O3/c1-3-12-8(13)10(15-9(12)14)5-4-6-11(2)7-10/h3-7H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044703
PNG
(8-Methyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-dion...)
Show SMILES CN1CCC2(CC1)OC(O)=NC2=O |c:10|
Show InChI InChI=1S/C8H12N2O3/c1-10-4-2-8(3-5-10)6(11)9-7(12)13-8/h2-5H2,1H3,(H,9,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044699
PNG
(8-Benzyl-3-ethyl-1-oxa-3,8-diaza-spiro[4.5]decane-...)
Show SMILES CCN1C(=O)OC2(CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C16H20N2O3/c1-2-18-14(19)16(21-15(18)20)8-10-17(11-9-16)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044700
PNG
((8-Methyl-2,4-dioxo-1-oxa-3,8-diaza-spiro[4.5]dec-...)
Show SMILES COC(=O)CN1C(=O)OC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C11H16N2O5/c1-12-5-3-11(4-6-12)9(15)13(10(16)18-11)7-8(14)17-2/h3-7H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044698
PNG
(4-(3-Ethyl-2,4-dioxo-1-oxa-3,8-diaza-spiro[4.5]dec...)
Show SMILES CCN1C(=O)OC2(CCN(CCCC(=O)OC)CC2)C1=O
Show InChI InChI=1S/C14H22N2O5/c1-3-16-12(18)14(21-13(16)19)6-9-15(10-7-14)8-4-5-11(17)20-2/h3-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044697
PNG
((3-Chloro-phenyl)-carbamic acid 4-(3-ethyl-2,4-dio...)
Show SMILES CCN1C(=O)OC2(CCN(CC#CCOC(=O)Nc3cccc(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C20H22ClN3O5/c1-2-24-17(25)20(29-19(24)27)8-11-23(12-9-20)10-3-4-13-28-18(26)22-16-7-5-6-15(21)14-16/h5-7,14H,2,8-13H2,1H3,(H,22,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044693
PNG
(3-Ethyl-7-methyl-1-oxa-3,7-diaza-spiro[4.4]nonane-...)
Show SMILES CCN1C(=O)OC2(CCN(C)C2)C1=O
Show InChI InChI=1S/C9H14N2O3/c1-3-11-7(12)9(14-8(11)13)4-5-10(2)6-9/h3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044691
PNG
(8-Methyl-3-(2-morpholin-4-yl-ethyl)-1-oxa-3,8-diaz...)
Show SMILES CN1CCC2(CC1)OC(=O)N(CCN1CCOCC1)C2=O
Show InChI InChI=1S/C14H23N3O4/c1-15-4-2-14(3-5-15)12(18)17(13(19)21-14)7-6-16-8-10-20-11-9-16/h2-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044690
PNG
(8-Methyl-2-thioxo-1-oxa-3,8-diaza-spiro[4.5]decan-...)
Show SMILES CN1CCC2(CC1)OC(S)=NC2=O |c:10|
Show InChI InChI=1S/C8H12N2O2S/c1-10-4-2-8(3-5-10)6(11)9-7(13)12-8/h2-5H2,1H3,(H,9,11,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044689
PNG
(2-(8-Methyl-2,4-dioxo-1-oxa-3,8-diaza-spiro[4.5]de...)
Show SMILES CN1CCC2(CC1)OC(=O)N(CC(N)=O)C2=O
Show InChI InChI=1S/C10H15N3O4/c1-12-4-2-10(3-5-12)8(15)13(6-7(11)14)9(16)17-10/h2-6H2,1H3,(H2,11,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044694
PNG
(3-(3-Chloro-phenyl)-8-methyl-1-oxa-3,8-diaza-spiro...)
Show SMILES CN1CCC2(CC1)OC(=O)N(C2=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H15ClN2O3/c1-16-7-5-14(6-8-16)12(18)17(13(19)20-14)11-4-2-3-10(15)9-11/h2-4,9H,5-8H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50044707
PNG
(3,8-Dimethyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-...)
Show SMILES CN1C(=O)OC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C9H14N2O3/c1-10-5-3-9(4-6-10)7(12)11(2)8(13)14-9/h3-6H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Institute for Drug Discovery Research

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor


J Med Chem 36: 2292-9 (1993)


BindingDB Entry DOI: 10.7270/Q2W66MDV
More data for this
Ligand-Target Pair