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Compile Data Set for Download or QSAR

Found 2085 hits with Last Name = 'stevens' and Initial = 'a'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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 0.280n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand

J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50217828
PNG
(CHEMBL413707)
Show SMILES Fc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C25H30FN3O3S/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2/t21-/m1/s1
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 0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50217831
PNG
(CHEMBL430706)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C27H32N4O2S/c32-34(33,23-8-7-21-9-13-28-27(21)18-23)31-14-3-4-22(31)12-17-30-15-10-20(11-16-30)25-19-29-26-6-2-1-5-24(25)26/h1-2,5-9,13,18-20,22,28-29H,3-4,10-12,14-17H2/t22-/m1/s1
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 0.676n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50217829
PNG
(CHEMBL115262)
Show SMILES Oc1nc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C26H31N5O3S/c32-26-28-23-5-1-2-6-25(23)31(26)21-11-16-29(17-12-21)15-10-20-4-3-14-30(20)35(33,34)22-8-7-19-9-13-27-24(19)18-22/h1-2,5-9,13,18,20-21,27H,3-4,10-12,14-17H2,(H,28,32)/t20-/m1/s1
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 0.708n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50556532
PNG
(CHEMBL4753891)
Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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 0.790n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00582
BindingDB Entry DOI: 10.7270/Q2NV9PB9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50217832
PNG
(CHEMBL116292)
Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C26H30ClN3O3S/c27-22-6-3-20(4-7-22)26(31)21-10-15-29(16-11-21)17-12-23-2-1-14-30(23)34(32,33)24-8-5-19-9-13-28-25(19)18-24/h3-9,13,18,21,23,28H,1-2,10-12,14-17H2/t23-/m1/s1
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 0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50217835
PNG
(CHEMBL114345)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C26H30FN3O3S/c27-22-6-3-20(4-7-22)26(31)21-10-15-29(16-11-21)17-12-23-2-1-14-30(23)34(32,33)24-8-5-19-9-13-28-25(19)18-24/h3-9,13,18,21,23,28H,1-2,10-12,14-17H2/t23-/m1/s1
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 0.832n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50114673
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)
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 1.07n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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 1.18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50217831
PNG
(CHEMBL430706)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C27H32N4O2S/c32-34(33,23-8-7-21-9-13-28-27(21)18-23)31-14-3-4-22(31)12-17-30-15-10-20(11-16-30)25-19-29-26-6-2-1-5-24(25)26/h1-2,5-9,13,18-20,22,28-29H,3-4,10-12,14-17H2/t22-/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1B adrenergic receptor

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50601131
PNG
(CHEMBL5193398)
Show SMILES Cc1c(Br)cn(CCCc2cn(CCCCCn3c(C)c(Br)cc(C(=O)NC4CCCCCC4)c3=O)nn2)c(=O)c1NC(=O)C1CCCCCC1
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 1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00582
BindingDB Entry DOI: 10.7270/Q2NV9PB9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50217825
PNG
(CHEMBL323778)
Show SMILES O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C26H30N4O4S/c31-26-30(24-5-1-2-6-25(24)34-26)21-11-16-28(17-12-21)15-10-20-4-3-14-29(20)35(32,33)22-8-7-19-9-13-27-23(19)18-22/h1-2,5-9,13,18,20-21,27H,3-4,10-12,14-17H2/t20-/m1/s1
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 1.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50601132
PNG
(CHEMBL5204176)
Show SMILES Cc1nc(OCCCCCn2cc(CCCn3cc(Br)c(C)c(NC(=O)C4CCCCCC4)c3=O)nn2)c(cc1Br)C(=O)NC1CCCCCC1
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 1.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00582
BindingDB Entry DOI: 10.7270/Q2NV9PB9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50130261
PNG
(6-(2-{2-[4-(4-Chloro-phenoxy)-piperidin-1-yl]-ethy...)
Show SMILES Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C25H30ClN3O3S/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2/t21-/m1/s1
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 2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity in 5-hydroxytryptamine 7 receptor (using human cloned receptors in HEK 293 and [3H]5-CT as a radioligand...

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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 2.10n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand

J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50130297
PNG
(6-{(R)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrro...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C20H29N3O2S/c1-16-7-12-22(13-8-16)14-9-18-3-2-11-23(18)26(24,25)19-5-4-17-6-10-21-20(17)15-19/h4-6,10,15-16,18,21H,2-3,7-9,11-14H2,1H3/t18-/m1/s1
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 2.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50114673
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)
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 2.46n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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 2.5n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand

J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50068666
PNG
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)
Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2|
Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+
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 2.70n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand

J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50068666
PNG
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)
Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2|
Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+
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 2.70n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand

J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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 2.90n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand

J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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 6.18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50217833
PNG
(CHEMBL331803)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1cc2ccccc2[nH]1)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C27H32N4O2S/c32-34(33,24-8-7-20-9-13-28-26(20)19-24)31-14-3-5-23(31)12-17-30-15-10-21(11-16-30)27-18-22-4-1-2-6-25(22)29-27/h1-2,4,6-9,13,18-19,21,23,28-29H,3,5,10-12,14-17H2/t23-/m1/s1
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 6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50217827
PNG
(CHEMBL112876)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]cnc3c2)CC1
Show InChI InChI=1S/C19H28N4O2S/c1-15-6-10-22(11-7-15)12-8-16-3-2-9-23(16)26(24,25)17-4-5-18-19(13-17)21-14-20-18/h4-5,13-16H,2-3,6-12H2,1H3,(H,20,21)/t16-/m1/s1
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 6.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50217837
PNG
(CHEMBL111922)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3c[nH]nc3c2)CC1
Show InChI InChI=1S/C19H28N4O2S/c1-15-6-10-22(11-7-15)12-8-17-3-2-9-23(17)26(24,25)18-5-4-16-14-20-21-19(16)13-18/h4-5,13-15,17H,2-3,6-12H2,1H3,(H,20,21)/t17-/m1/s1
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 6.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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 6.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00582
BindingDB Entry DOI: 10.7270/Q2NV9PB9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50110942
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H22Cl3N3O/c1-3-4-5-12-26-22(29)20-14(2)21(15-6-8-16(23)9-7-15)28(27-20)19-11-10-17(24)13-18(19)25/h6-11,13H,3-5,12H2,1-2H3,(H,26,29)
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 6.83n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50556532
PNG
(CHEMBL4753891)
Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
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 7n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00582
BindingDB Entry DOI: 10.7270/Q2NV9PB9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50055824
PNG
(2-{[(2R,3S)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bic...)
Show SMILES CN1C2CCC1[C@@H](CN(CCS)CCNCCS)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C21H34ClN3S2/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16/h2-5,18-21,23,26-27H,6-15H2,1H3/t18?,19-,20+,21?/m1/s1
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 7n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to Dopamine transporter in rat striatal homogenates using [125I]-IPT20 as the ligand

J Med Chem 40: 9-17 (1997)


Article DOI: 10.1021/jm960532j
BindingDB Entry DOI: 10.7270/Q2WM1CHJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50062680
PNG
(2-[[2-[[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[...)
Show SMILES CN1C2CCC1[C@@H]([C@@H]2CN1CCS[Re]2(=O)SCCN2CC1)c1ccc(Cl)cc1 |TLB:8:7:1:4.3,THB:21:6:1:4.3|
Show InChI InChI=1S/C20H31ClN3S2.O.Re/c1-23-18-6-7-19(23)20(15-2-4-16(21)5-3-15)17(18)14-24(11-13-26)10-8-22-9-12-25;;/h2-5,17-20,25-26H,6-14H2,1H3;;/q-1;;+4/p-2/t17-,18?,19?,20-;;/m1../s1
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 8.42n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro bindingaffinity towards dopamine transporter in rat striatal homogenatewith [125I]-IPT as the radioligand

J Med Chem 41: 428-36 (1998)


Article DOI: 10.1021/jm970742b
BindingDB Entry DOI: 10.7270/Q2DN4459
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50114674
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CC(C)CNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H20Cl3N3O/c1-12(2)11-25-21(28)19-13(3)20(14-4-6-15(22)7-5-14)27(26-19)18-9-8-16(23)10-17(18)24/h4-10,12H,11H2,1-3H3,(H,25,28)
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 9.22n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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 9.40n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand

J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1|
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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 9.44n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand

J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50114682
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H24Cl3N3O/c1-3-4-5-6-13-27-23(30)21-15(2)22(16-7-9-17(24)10-8-16)29(28-21)20-12-11-18(25)14-19(20)26/h7-12,14H,3-6,13H2,1-2H3,(H,27,30)
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 10.7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50068666
PNG
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)
Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2|
Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+
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 11n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand at site 1

J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50110942
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H22Cl3N3O/c1-3-4-5-12-26-22(29)20-14(2)21(15-6-8-16(23)9-7-15)28(27-20)19-11-10-17(24)13-18(19)25/h6-11,13H,3-5,12H2,1-2H3,(H,26,29)
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 11.4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50114674
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CC(C)CNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H20Cl3N3O/c1-12(2)11-25-21(28)19-13(3)20(14-4-6-15(22)7-5-14)27(26-19)18-9-8-16(23)10-17(18)24/h4-10,12H,11H2,1-3H3,(H,25,28)
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 11.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50114685
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H20Cl3N3O/c1-3-4-11-25-21(28)19-13(2)20(14-5-7-15(22)8-6-14)27(26-19)18-10-9-16(23)12-17(18)24/h5-10,12H,3-4,11H2,1-2H3,(H,25,28)
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 12.8n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50114676
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CC(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H18Cl3N3O/c1-11(2)24-20(27)18-12(3)19(13-4-6-14(21)7-5-13)26(25-18)17-9-8-15(22)10-16(17)23/h4-11H,1-3H3,(H,24,27)
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 12.9n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50114685
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H20Cl3N3O/c1-3-4-11-25-21(28)19-13(2)20(14-5-7-15(22)8-6-14)27(26-19)18-10-9-16(23)12-17(18)24/h5-10,12H,3-4,11H2,1-2H3,(H,25,28)
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 13.4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50062679
PNG
(2-[[2-[[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[...)
Show SMILES CN1C2CCC1[C@@H]([C@H]2CN1CCS[Re]2(=O)SCCN2CC1)c1ccc(Cl)cc1 |TLB:8:7:1:4.3,THB:21:6:1:4.3|
Show InChI InChI=1S/C20H31ClN3S2.O.Re/c1-23-18-6-7-19(23)20(15-2-4-16(21)5-3-15)17(18)14-24(11-13-26)10-8-22-9-12-25;;/h2-5,17-20,25-26H,6-14H2,1H3;;/q-1;;+4/p-2/t17-,18?,19?,20+;;/m0../s1
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 13.9n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro bindingaffinity towards dopamine transporter in rat striatal homogenatewith [125I]-IPT as the radioligand

J Med Chem 41: 428-36 (1998)


Article DOI: 10.1021/jm970742b
BindingDB Entry DOI: 10.7270/Q2DN4459
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50055825
PNG
(CHEMBL295441 | Rhenium Compound)
Show SMILES CN1C2CCC1[C@@H](CN1CCS[Re]3(=O)SCCN3CC1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C21H33ClN3S2.O.Re/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16;;/h2-5,18-21,26-27H,6-15H2,1H3;;/q-1;;+4/p-2/t18?,19-,20+,21?;;/m1../s1
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 14n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards dopamine transporter using [125I]-IPT20 as radioligand in rat striatal homogenates

J Med Chem 40: 9-17 (1997)


Article DOI: 10.1021/jm960532j
BindingDB Entry DOI: 10.7270/Q2WM1CHJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50475919
PNG
(CHEMBL386050)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1C(=O)c2ccc(Nc3ccccc3)cc2C1=O
Show InChI InChI=1S/C27H27N3O4/c1-33-25-18-21(10-12-24(25)34-16-15-29-13-5-6-14-29)30-26(31)22-11-9-20(17-23(22)27(30)32)28-19-7-3-2-4-8-19/h2-4,7-12,17-18,28H,5-6,13-16H2,1H3
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 16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells

Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50475894
PNG
(CHEMBL441855)
Show SMILES COc1cc(ccc1OCCN(C(C)C)C(C)C)N(C)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)18-19-34-27-17-16-26(20-28(27)33-6)30(5)29(32)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-17,20-22H,18-19H2,1-6H3
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 16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells

Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50114682
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H24Cl3N3O/c1-3-4-5-6-13-27-23(30)21-15(2)22(16-7-9-17(24)10-8-16)29(28-21)20-12-11-18(25)14-19(20)26/h7-12,14H,3-6,13H2,1-2H3,(H,27,30)
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 18.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation

J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50217835
PNG
(CHEMBL114345)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C26H30FN3O3S/c27-22-6-3-20(4-7-22)26(31)21-10-15-29(16-11-21)17-12-23-2-1-14-30(23)34(32,33)24-8-5-19-9-13-28-25(19)18-24/h3-9,13,18,21,23,28H,1-2,10-12,14-17H2/t23-/m1/s1
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 19n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1B adrenergic receptor

Bioorg Med Chem Lett 12: 3341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8P7C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50570253
PNG
(CHEMBL4467500)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1NC(=O)C1CCCCCC1
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 19n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00582
BindingDB Entry DOI: 10.7270/Q2NV9PB9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50054472
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r|
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1
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 20n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity for the cannabinoid receptor in the presence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes

J Med Chem 37: 1889-93 (1994)


Article DOI: 10.1021/jm00038a020
BindingDB Entry DOI: 10.7270/Q2JQ13QV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50475902
PNG
(CHEMBL2110360 | SB-568849)
Show SMILES CCN(CC)CCOc1ccc(cc1OC)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N2O3/c1-5-33(6-2)17-18-36-25-16-15-24(19-26(25)35-4)32(3)27(34)22-9-7-20(8-10-22)21-11-13-23(14-12-21)28(29,30)31/h7-16,19H,5-6,17-18H2,1-4H3
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 20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells

Bioorg Med Chem Lett 16: 4865-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.056
BindingDB Entry DOI: 10.7270/Q2F192GH
More data for this
Ligand-Target Pair
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