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Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'mattmann' and Initial = 'me'   
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
Quorum-sensing transcriptional repressor QscR


(Pseudomonas aeruginosa)		BDBM50373105
PNG
(CHEMBL259441)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)N[C@H]1CCOC1=O
Show InChI InChI=1S/C18H17NO3/c20-17(19-16-10-11-22-18(16)21)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,19,20)/t16-/m0/s1
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University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...

Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387763
PNG
(CHEMBL2057775)
Show SMILES Cc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-20(5-8-25-17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-24-7-6-21(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387762
PNG
(CHEMBL2057513)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-4-7-23-8-5-19)18-15-27(16-18)31(29,30)21-3-1-2-17-14-24-9-6-20(17)21/h1-9,14,18H,10-13,15-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387763
PNG
(CHEMBL2057775)
Show SMILES Cc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-20(5-8-25-17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-24-7-6-21(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387762
PNG
(CHEMBL2057513)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-4-7-23-8-5-19)18-15-27(16-18)31(29,30)21-3-1-2-17-14-24-9-6-20(17)21/h1-9,14,18H,10-13,15-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387764
PNG
(CHEMBL2057512)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H24N4O4S/c26-21(24-10-8-23(9-11-24)18-3-6-22-7-4-18)17-14-25(15-17)30(27,28)19-1-2-20-16(13-19)5-12-29-20/h1-4,6-7,13,17H,5,8-12,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Quorum-sensing transcriptional repressor QscR


(Pseudomonas aeruginosa)		BDBM50373107
PNG
(CHEMBL259439)
Show SMILES CCCCCCCCc1ccc(cc1)C(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18(21)20-17-13-14-23-19(17)22/h9-12,17H,2-8,13-14H2,1H3,(H,20,21)/t17-/m0/s1
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University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...

Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387764
PNG
(CHEMBL2057512)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H24N4O4S/c26-21(24-10-8-23(9-11-24)18-3-6-22-7-4-18)17-14-25(15-17)30(27,28)19-1-2-20-16(13-19)5-12-29-20/h1-4,6-7,13,17H,5,8-12,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Quorum-sensing transcriptional repressor QscR


(Pseudomonas aeruginosa)		BDBM50373104
PNG
(CHEMBL265683)
Show SMILES CCOc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1
Show InChI InChI=1S/C14H17NO4/c1-2-18-11-5-3-10(4-6-11)9-13(16)15-12-7-8-19-14(12)17/h3-6,12H,2,7-9H2,1H3,(H,15,16)/t12-/m0/s1
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University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...

Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
Quorum-sensing transcriptional repressor QscR


(Pseudomonas aeruginosa)		BDBM50373103
PNG
(CHEMBL258913)
Show SMILES Brc1ccc(cc1)C(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C11H10BrNO3/c12-8-3-1-7(2-4-8)10(14)13-9-5-6-16-11(9)15/h1-4,9H,5-6H2,(H,13,14)/t9-/m0/s1
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University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...

Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387765
PNG
(CHEMBL2057772)
Show SMILES Clc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H22ClN5O3S/c23-21-12-18(4-7-25-21)26-8-10-27(11-9-26)22(29)17-14-28(15-17)32(30,31)20-3-1-2-16-13-24-6-5-19(16)20/h1-7,12-13,17H,8-11,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387765
PNG
(CHEMBL2057772)
Show SMILES Clc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H22ClN5O3S/c23-21-12-18(4-7-25-21)26-8-10-27(11-9-26)22(29)17-14-28(15-17)32(30,31)20-3-1-2-16-13-24-6-5-19(16)20/h1-7,12-13,17H,8-11,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Quorum-sensing transcriptional repressor QscR


(Pseudomonas aeruginosa)		BDBM50373106
PNG
(CHEMBL259440)
Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)C(=O)N[C@H]1CCOC1=O
Show InChI InChI=1S/C17H22N2O5/c1-17(2,3)24-16(22)18-10-11-4-6-12(7-5-11)14(20)19-13-8-9-23-15(13)21/h4-7,13H,8-10H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
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University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced prod...

Bioorg Med Chem Lett 18: 3072-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.095
BindingDB Entry DOI: 10.7270/Q2MS3TM8
More data for this
Ligand-Target Pair
Transcriptional activator protein TraR


(Rhizobium radiobacter)		BDBM50265814
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-3-(4-(trifluorom...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C14H14F3NO3/c15-14(16,17)10-4-1-9(2-5-10)3-6-12(19)18-11-7-8-21-13(11)20/h1-2,4-5,11H,3,6-8H2,(H,18,19)/t11-/m0/s1
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University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387760
PNG
(CHEMBL2057776)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1
Show InChI InChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387760
PNG
(CHEMBL2057776)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1
Show InChI InChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Transcriptional activator protein TraR


(Rhizobium radiobacter)		BDBM50266310
PNG
((S)-2-(4-nitrophenoxy)-N-(2-oxotetrahydrofuran-3-y...)
Show SMILES [O-][N+](=O)c1ccc(OCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C12H12N2O6/c15-11(13-10-5-6-19-12(10)16)7-20-9-3-1-8(2-4-9)14(17)18/h1-4,10H,5-7H2,(H,13,15)/t10-/m0/s1
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University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387766
PNG
(CHEMBL2057508)
Show SMILES Cc1cc(cnc1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H22ClN5O3S/c1-14-10-17(11-22-18(14)20)29(27,28)25-12-15(13-25)19(26)24-8-6-23(7-9-24)16-2-4-21-5-3-16/h2-5,10-11,15H,6-9,12-13H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387766
PNG
(CHEMBL2057508)
Show SMILES Cc1cc(cnc1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H22ClN5O3S/c1-14-10-17(11-22-18(14)20)29(27,28)25-12-15(13-25)19(26)24-8-6-23(7-9-24)16-2-4-21-5-3-16/h2-5,10-11,15H,6-9,12-13H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387767
PNG
(CHEMBL2057506)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccnc1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H21N5O3S/c24-18(22-10-8-21(9-11-22)16-3-6-19-7-4-16)15-13-23(14-15)27(25,26)17-2-1-5-20-12-17/h1-7,12,15H,8-11,13-14H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387767
PNG
(CHEMBL2057506)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccnc1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H21N5O3S/c24-18(22-10-8-21(9-11-22)16-3-6-19-7-4-16)15-13-23(14-15)27(25,26)17-2-1-5-20-12-17/h1-7,12,15H,8-11,13-14H2
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n/an/a 372n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))		BDBM50265812
PNG
((S)-3-(3-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...)
Show SMILES Ic1cccc(CCC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C13H14INO3/c14-10-3-1-2-9(8-10)4-5-12(16)15-11-6-7-18-13(11)17/h1-3,8,11H,4-7H2,(H,15,16)/t11-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50362394
PNG
(CHEMBL1940125)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H23N5O3S/c27-21(26-15-13-25(14-16-26)17-6-10-22-11-7-17)8-12-24-30(28,29)20-5-1-4-19-18(20)3-2-9-23-19/h1-7,9-11,24H,8,12-16H2
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n/an/a 400n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387803
PNG
(CHEMBL2058898)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2nonc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H20N6O4S/c26-19(24-10-8-23(9-11-24)15-4-6-20-7-5-15)14-12-25(13-14)30(27,28)17-3-1-2-16-18(17)22-29-21-16/h1-7,14H,8-13H2
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n/an/a 430n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Transcriptional activator protein TraR


(Rhizobium radiobacter)		BDBM50266308
PNG
((S)-2-(4-iodophenoxy)-N-(2-oxotetrahydrofuran-3-yl...)
Show SMILES Ic1ccc(OCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C12H12INO4/c13-8-1-3-9(4-2-8)18-7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein TraR


(Rhizobium radiobacter)		BDBM50266198
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluorom...)
Show SMILES FC(F)(F)Oc1ccc(OCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H12F3NO5/c14-13(15,16)22-9-3-1-8(2-4-9)21-7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))		BDBM50265861
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(CCC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-9(8-10)4-5-12(19)18-11-6-7-21-13(11)20/h1-3,8,11H,4-7H2,(H,18,19)/t11-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387768
PNG
(CHEMBL2057507)
Show SMILES Clc1ccc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H20ClN5O3S/c19-17-2-1-16(11-21-17)28(26,27)24-12-14(13-24)18(25)23-9-7-22(8-10-23)15-3-5-20-6-4-15/h1-6,11,14H,7-10,12-13H2
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n/an/a 500n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387768
PNG
(CHEMBL2057507)
Show SMILES Clc1ccc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H20ClN5O3S/c19-17-2-1-16(11-21-17)28(26,27)24-12-14(13-24)18(25)23-9-7-22(8-10-23)15-3-5-20-6-4-15/h1-6,11,14H,7-10,12-13H2
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n/an/a 501n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Transcriptional activator protein TraR


(Rhizobium radiobacter)		BDBM50266272
PNG
((S)-2-(4-bromophenoxy)-N-(2-oxotetrahydrofuran-3-y...)
Show SMILES Brc1ccc(OCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C12H12BrNO4/c13-8-1-3-9(4-2-8)18-7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387769
PNG
(CHEMBL2057774)
Show SMILES Cc1cnccc1N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-24-8-6-21(17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-25-7-5-20(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3
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n/an/a 510n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387769
PNG
(CHEMBL2057774)
Show SMILES Cc1cnccc1N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-24-8-6-21(17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-25-7-5-20(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3
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n/an/a 513n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))		BDBM50265810
PNG
((S)-3-(3-bromophenyl)-N-(2-oxotetrahydrofuran-3-yl...)
Show SMILES Brc1cccc(CCC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C13H14BrNO3/c14-10-3-1-2-9(8-10)4-5-12(16)15-11-6-7-18-13(11)17/h1-3,8,11H,4-7H2,(H,15,16)/t11-/m0/s1
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n/an/a 530n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))		BDBM50266165
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluorom...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H12F3NO3/c14-13(15,16)9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein TraR


(Rhizobium radiobacter)		BDBM50266271
PNG
((S)-2-(4-chlorophenoxy)-N-(2-oxotetrahydrofuran-3-...)
Show SMILES Clc1ccc(OCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C12H12ClNO4/c13-8-1-3-9(4-2-8)18-7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))		BDBM50265811
PNG
((S)-3-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...)
Show SMILES Ic1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H14INO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387770
PNG
(CHEMBL2057773)
Show SMILES Cc1cc(cc(C)n1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C24H27N5O3S/c1-17-12-21(13-18(2)26-17)27-8-10-28(11-9-27)24(30)20-15-29(16-20)33(31,32)23-5-3-4-19-14-25-7-6-22(19)23/h3-7,12-14,20H,8-11,15-16H2,1-2H3
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n/an/a 690n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50362367
PNG
(CHEMBL1628667)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2
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n/an/a 690n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387770
PNG
(CHEMBL2057773)
Show SMILES Cc1cc(cc(C)n1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C24H27N5O3S/c1-17-12-21(13-18(2)26-17)27-8-10-28(11-9-27)24(30)20-15-29(16-20)33(31,32)23-5-3-4-19-14-25-7-6-22(19)23/h3-7,12-14,20H,8-11,15-16H2,1-2H3
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n/an/a 692n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387771
PNG
(CHEMBL2057767)
Show SMILES Clc1nccc2c(cccc12)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H22ClN5O3S/c23-21-19-2-1-3-20(18(19)6-9-25-21)32(30,31)28-14-16(15-28)22(29)27-12-10-26(11-13-27)17-4-7-24-8-5-17/h1-9,16H,10-15H2
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n/an/a 740n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387771
PNG
(CHEMBL2057767)
Show SMILES Clc1nccc2c(cccc12)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H22ClN5O3S/c23-21-19-2-1-3-20(18(19)6-9-25-21)32(30,31)28-14-16(15-28)22(29)27-12-10-26(11-13-27)17-4-7-24-8-5-17/h1-9,16H,10-15H2
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n/an/a 741n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Transcriptional activator protein TraR


(Rhizobium radiobacter)		BDBM50266165
PNG
((S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluorom...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H12F3NO3/c14-13(15,16)9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
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n/an/a 810n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387772
PNG
(CHEMBL2057505)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCOc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C20H22N4O5S/c25-20(23-9-7-22(8-10-23)16-3-5-21-6-4-16)15-12-24(13-15)30(26,27)17-1-2-18-19(11-17)29-14-28-18/h1-6,11,15H,7-10,12-14H2
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n/an/a 830n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387772
PNG
(CHEMBL2057505)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCOc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C20H22N4O5S/c25-20(23-9-7-22(8-10-23)16-3-5-21-6-4-16)15-12-24(13-15)30(26,27)17-1-2-18-19(11-17)29-14-28-18/h1-6,11,15H,7-10,12-14H2
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n/an/a 832n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387773
PNG
(CHEMBL2057504)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H20Cl2N4O3S/c20-16-2-1-3-17(18(16)21)29(27,28)25-12-14(13-25)19(26)24-10-8-23(9-11-24)15-4-6-22-7-5-15/h1-7,14H,8-13H2
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n/an/a 832n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50387773
PNG
(CHEMBL2057504)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H20Cl2N4O3S/c20-16-2-1-3-17(18(16)21)29(27,28)25-12-14(13-25)19(26)24-10-8-23(9-11-24)15-4-6-22-7-5-15/h1-7,14H,8-13H2
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n/an/a 840n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...

Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))		BDBM50266163
PNG
((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...)
Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))		BDBM50265901
PNG
((S)-3-(3-nitrophenyl)-N-(2-oxotetrahydrofuran-3-yl...)
Show SMILES [O-][N+](=O)c1cccc(CCC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C13H14N2O5/c16-12(14-11-6-7-20-13(11)17)5-4-9-2-1-3-10(8-9)15(18)19/h1-3,8,11H,4-7H2,(H,14,16)/t11-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein TraR


(Rhizobium radiobacter)		BDBM50241433
PNG
((S)-3-(4-bromophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES Brc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H14BrNO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein LuxR


(Vibrio fischeri (strain ATCC 700601 / ES114))		BDBM50266238
PNG
((S)-2-(naphthalen-2-yl)-N-(2-oxotetrahydrofuran-3-...)
Show SMILES O=C(Cc1ccc2ccccc2c1)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C16H15NO3/c18-15(17-14-7-8-20-16(14)19)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14H,7-8,10H2,(H,17,18)/t14-/m0/s1
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n/an/a 940n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay

Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
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