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PubMed code 27275946

Compile data set for download or QSAR
Found 20 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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50240693
PNG
(CHEMBL4097569)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1
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n/an/a 3.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE2A (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))		BDBM50240693
PNG
(CHEMBL4097569)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1
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n/an/a 4.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE11A4 (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50240693
PNG
(CHEMBL4097569)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1
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n/an/an/an/a 60n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558277
PNG
(CHEMBL4761072)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCCC[C@@H]1O |r|
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n/an/an/an/a 92n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558278
PNG
(CHEMBL4779980)
Show SMILES Cc1cc(N)c(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
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n/an/an/an/a>9.00E+3n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50461821
PNG
(CHEMBL4226889)
Show SMILES Cc1c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C |r|
Show InChI InChI=1S/C24H28N4O3/c1-16-18(14-17-8-10-19(11-9-17)28-13-5-12-25-28)15-20(24(31)27(16)2)23(30)26-21-6-3-4-7-22(21)29/h5,8-13,15,21-22,29H,3-4,6-7,14H2,1-2H3,(H,26,30)/t21-,22-/m0/s1
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n/an/an/an/a 29n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50240693
PNG
(CHEMBL4097569)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1
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n/an/an/an/a 365n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of muscarinic M1 receptor (unknown origin) assessed as increase in Ach-induced recruitment of beta-arrestin by Path Hu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558275
PNG
(CHEMBL4790220)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cocn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
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n/an/an/an/a 144n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50240693
PNG
(CHEMBL4097569)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1
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n/an/an/an/a 447n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of muscarinic M1 receptor (unknown origin) expressed in CHO cells assessed as increase in Ach-induced accumulation of ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558282
PNG
(CHEMBL4229092)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
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n/an/an/an/a 109n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558279
PNG
(CHEMBL4742964)
Show SMILES Cc1ncc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
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n/an/an/an/a 392n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558281
PNG
(CHEMBL4755820)
Show SMILES Cc1cc(F)c(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
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n/an/an/an/a 115n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558287
PNG
(CHEMBL4740865)
Show SMILES Cc1c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C |r|
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n/an/an/an/a 20n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558280
PNG
(CHEMBL4754262)
Show SMILES Cc1ccc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
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n/an/an/an/a 208n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558286
PNG
(CHEMBL4788101)
Show SMILES Cc1c(Cc2ccc(cc2)-c2cocn2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C |r|
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n/an/an/an/a 38n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558283
PNG
(CHEMBL4758929)
Show SMILES CO[C@@H]1CCN(C1)c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(=O)n(C)c2C)cc1 |r|
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n/an/an/an/a 1.69E+3n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558276
PNG
(CHEMBL4790419)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(cc2)-n2cccn2)ccn1 |r|
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n/an/an/an/a>9.00E+3n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558284
PNG
(CHEMBL4745827)
Show SMILES Cc1c(Cc2ccc(cc2)-c2cscn2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C |r|
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n/an/an/an/a 166n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50558285
PNG
(CHEMBL4761922)
Show SMILES Cc1c(Cc2ccc(cc2)-c2ccn(C)n2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C |r|
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n/an/an/an/a 102n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calciu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50240693
PNG
(CHEMBL4097569)
Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|
Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1
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n/an/an/an/a 3.90E+3n/an/an/an/a


TBA

Assay Description
Partial agonist activity at muscarinic M1 receptor (unknown origin) assessed as recruitment of beta-arrestin by Path Hunter assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00544
BindingDB Entry DOI: 10.7270/Q2MC93Q2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%