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Compile Data Set for Download or QSAR

Found 678 hits with Last Name = 'widdowson' and Initial = 'k'   
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))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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0.0600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50381654
PNG
(CHEMBL2023764)
Show SMILES C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)|
Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31-
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M2 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50381654
PNG
(CHEMBL2023764)
Show SMILES C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)|
Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31-
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0.120n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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0.130n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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0.150n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M2 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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0.160n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M1 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381654
PNG
(CHEMBL2023764)
Show SMILES C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)|
Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31-
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0.160n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50345692
PNG
((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...)
Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345692
PNG
((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...)
Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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0.640n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M1 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50345692
PNG
((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...)
Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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0.940n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M2 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218750
PNG
(CHEMBL299498)
Show SMILES Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218751
PNG
(CHEMBL300835)
Show SMILES Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218748
PNG
(CHEMBL301209)
Show SMILES CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218752
PNG
(CHEMBL56557)
Show SMILES COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218750
PNG
(CHEMBL299498)
Show SMILES Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218745
PNG
(CHEMBL57135)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218749
PNG
(CHEMBL54062)
Show SMILES CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218749
PNG
(CHEMBL54062)
Show SMILES CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218748
PNG
(CHEMBL301209)
Show SMILES CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218745
PNG
(CHEMBL57135)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218752
PNG
(CHEMBL56557)
Show SMILES COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218751
PNG
(CHEMBL300835)
Show SMILES Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218747
PNG
(CHEMBL417753)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218747
PNG
(CHEMBL417753)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218746
PNG
(CHEMBL59266)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218746
PNG
(CHEMBL59266)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50384416
PNG
(CHEMBL2111553 | CHEMBL291536 | SB-334867)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50384416
PNG
(CHEMBL2111553 | CHEMBL291536 | SB-334867)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
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<5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50349197
PNG
(CHEMBL1807647)
Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H34N4O6S/c1-18-12-13-20(22(31)17-30(18)37(34,35)24-11-5-6-14-27-24)28-25(32)21(16-19-8-3-2-4-9-19)29-26(33)23-10-7-15-36-23/h5-7,10-11,14-15,18-21H,2-4,8-9,12-13,16-17H2,1H3,(H,28,32)(H,29,33)/t18-,20+,21+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50349203
PNG
(CHEMBL1807698)
Show SMILES CC1CCC(C[C@H](NC(=O)c2ccco2)C(=O)N[C@H]2CC[C@@H](C)N(CC2=O)S(=O)(=O)c2ccccn2)CC1 |r,wU:6.6,wD:21.22,18.18,(28.97,-10.04,;27.63,-10.81,;27.63,-12.35,;26.31,-13.13,;24.98,-12.36,;23.65,-13.13,;23.65,-14.69,;22.31,-15.43,;20.99,-14.64,;21.01,-13.11,;19.65,-15.4,;18.26,-14.75,;17.2,-15.88,;17.95,-17.22,;19.46,-16.92,;24.98,-15.47,;24.96,-17.01,;26.33,-14.72,;27.64,-15.51,;27.51,-17.06,;28.62,-18.12,;30.15,-17.9,;31,-19.19,;30.94,-16.59,;30.39,-15.15,;28.92,-14.67,;28.91,-13.13,;32.47,-16.72,;33.12,-18.11,;31.95,-18.17,;33.36,-15.46,;32.7,-14.06,;33.57,-12.8,;35.12,-12.92,;35.77,-14.33,;34.89,-15.59,;24.96,-10.82,;26.3,-10.04,)|
Show InChI InChI=1S/C27H36N4O6S/c1-18-8-11-20(12-9-18)16-22(30-27(34)24-6-5-15-37-24)26(33)29-21-13-10-19(2)31(17-23(21)32)38(35,36)25-7-3-4-14-28-25/h3-7,14-15,18-22H,8-13,16-17H2,1-2H3,(H,29,33)(H,30,34)/t18?,19-,20?,21+,22+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50349198
PNG
(CHEMBL1807649)
Show SMILES CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C23H30N4O6S/c1-15(2)13-18(26-23(30)20-7-6-12-33-20)22(29)25-17-10-9-16(3)27(14-19(17)28)34(31,32)21-8-4-5-11-24-21/h4-8,11-12,15-18H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,30)/t16-,17+,18+/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L using Z-LR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50349205
PNG
(CHEMBL1807700)
Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H39N5O6S/c1-19-9-11-21(23(32)18-31(19)38(35,36)24-8-4-5-13-27-24)28-25(33)22(12-10-20-6-2-3-7-20)29-26(34)30-14-16-37-17-15-30/h4-5,8,13,19-22H,2-3,6-7,9-12,14-18H2,1H3,(H,28,33)(H,29,34)/t19-,21+,22+/m1/s1
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n/an/a 0.580n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50349196
PNG
(CHEMBL1807646)
Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C25H32N4O6S/c1-17-11-12-19(21(30)16-29(17)36(33,34)23-10-4-5-13-26-23)27-24(31)20(15-18-7-2-3-8-18)28-25(32)22-9-6-14-35-22/h4-6,9-10,13-14,17-20H,2-3,7-8,11-12,15-16H2,1H3,(H,27,31)(H,28,32)/t17-,19+,20+/m1/s1
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n/an/a 0.760n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50349198
PNG
(CHEMBL1807649)
Show SMILES CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C23H30N4O6S/c1-15(2)13-18(26-23(30)20-7-6-12-33-20)22(29)25-17-10-9-16(3)27(14-19(17)28)34(31,32)21-8-4-5-11-24-21/h4-8,11-12,15-18H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,30)/t16-,17+,18+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K using z-LR-AFC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50349203
PNG
(CHEMBL1807698)
Show SMILES CC1CCC(C[C@H](NC(=O)c2ccco2)C(=O)N[C@H]2CC[C@@H](C)N(CC2=O)S(=O)(=O)c2ccccn2)CC1 |r,wU:6.6,wD:21.22,18.18,(28.97,-10.04,;27.63,-10.81,;27.63,-12.35,;26.31,-13.13,;24.98,-12.36,;23.65,-13.13,;23.65,-14.69,;22.31,-15.43,;20.99,-14.64,;21.01,-13.11,;19.65,-15.4,;18.26,-14.75,;17.2,-15.88,;17.95,-17.22,;19.46,-16.92,;24.98,-15.47,;24.96,-17.01,;26.33,-14.72,;27.64,-15.51,;27.51,-17.06,;28.62,-18.12,;30.15,-17.9,;31,-19.19,;30.94,-16.59,;30.39,-15.15,;28.92,-14.67,;28.91,-13.13,;32.47,-16.72,;33.12,-18.11,;31.95,-18.17,;33.36,-15.46,;32.7,-14.06,;33.57,-12.8,;35.12,-12.92,;35.77,-14.33,;34.89,-15.59,;24.96,-10.82,;26.3,-10.04,)|
Show InChI InChI=1S/C27H36N4O6S/c1-18-8-11-20(12-9-18)16-22(30-27(34)24-6-5-15-37-24)26(33)29-21-13-10-19(2)31(17-23(21)32)38(35,36)25-7-3-4-14-28-25/h3-7,14-15,18-22H,8-13,16-17H2,1-2H3,(H,29,33)(H,30,34)/t18?,19-,20?,21+,22+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L using Z-LR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223976
PNG
(8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H25N2O2S2/c1-21(2)16-3-4-17(21)10-18(9-16)23-19(22)20(15-6-8-25-13-15)11-14-5-7-24-12-14/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3/q+1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50349204
PNG
(CHEMBL1807699)
Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCC(C)(C)CC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C28H38N4O6S/c1-19-9-10-21(23(33)18-32(19)39(36,37)25-8-4-5-15-29-25)30-26(34)22(31-27(35)24-7-6-16-38-24)17-20-11-13-28(2,3)14-12-20/h4-8,15-16,19-22H,9-14,17-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,21+,22+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50349197
PNG
(CHEMBL1807647)
Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H34N4O6S/c1-18-12-13-20(22(31)17-30(18)37(34,35)24-11-5-6-14-27-24)28-25(32)21(16-19-8-3-2-4-9-19)29-26(33)23-10-7-15-36-23/h5-7,10-11,14-15,18-21H,2-4,8-9,12-13,16-17H2,1H3,(H,28,32)(H,29,33)/t18-,20+,21+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L using Z-LR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50349199
PNG
(CHEMBL1807650)
Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C24H32N4O6S/c1-16-10-11-17(19(29)15-28(16)35(32,33)21-9-5-6-12-25-21)26-22(30)18(14-24(2,3)4)27-23(31)20-8-7-13-34-20/h5-9,12-13,16-18H,10-11,14-15H2,1-4H3,(H,26,30)(H,27,31)/t16-,17+,18+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50349206
PNG
(CHEMBL1807702)
Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC23CCC(CC2)C3(C)C)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C29H43N5O6S/c1-20-7-8-22(24(35)19-34(20)41(38,39)25-6-4-5-13-30-25)31-26(36)23(32-27(37)33-14-16-40-17-15-33)18-29-11-9-21(10-12-29)28(29,2)3/h4-6,13,20-23H,7-12,14-19H2,1-3H3,(H,31,36)(H,32,37)/t20-,21?,22+,23+,29?/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50349207
PNG
(CHEMBL1807703)
Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1C(=O)c1ccccn1 |r|
Show InChI InChI=1S/C28H36N4O5/c1-19-11-12-20(23(33)18-32(19)27(36)21-9-4-7-15-29-21)30-25(34)22(17-28(2)13-5-3-6-14-28)31-26(35)24-10-8-16-37-24/h4,7-10,15-16,19-20,22H,3,5-6,11-14,17-18H2,1-2H3,(H,30,34)(H,31,35)/t19-,20+,22+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223976
PNG
(8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H25N2O2S2/c1-21(2)16-3-4-17(21)10-18(9-16)23-19(22)20(15-6-8-25-13-15)11-14-5-7-24-12-14/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3/q+1
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50349202
PNG
(CHEMBL1807697)
Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H34N4O6S/c1-18-11-13-20(22(31)17-30(18)37(34,35)24-10-4-5-15-27-24)28-25(32)21(14-12-19-7-2-3-8-19)29-26(33)23-9-6-16-36-23/h4-6,9-10,15-16,18-21H,2-3,7-8,11-14,17H2,1H3,(H,28,32)(H,29,33)/t18-,20+,21+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 21: 4409-15 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.045
BindingDB Entry DOI: 10.7270/Q2TT4R90
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223964
PNG
(3-(benzyl-thiophen-3-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223964
PNG
(3-(benzyl-thiophen-3-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 2.10n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
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