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Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'vernier' and Initial = 'jm'   
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
Cholinergic, Nicotinic Muscle


(RAT)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



SIBIA Neurosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes


J Med Chem 42: 1684-6 (1999)


Article DOI: 10.1021/jm990035d
BindingDB Entry DOI: 10.7270/Q2QC02PQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50122758
PNG
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161033
PNG
(3-Amino-6-chloro-pyrazine-2-carboxylic acid (6-met...)
Show SMILES Cc1cccc(NC(=O)c2nc(Cl)cnc2N)n1
Show InChI InChI=1S/C11H10ClN5O/c1-6-3-2-4-8(15-6)17-11(18)9-10(13)14-5-7(12)16-9/h2-5H,1H3,(H2,13,14)(H,15,17,18)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197982
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1)C(C)C |w:8.8|
Show InChI InChI=1S/C33H40Cl2N4O2/c1-5-38(6-2)16-9-12-30(23(3)4)36-32(40)15-17-41-33-22-31(26-18-27(34)21-28(35)19-26)37-39(33)29-14-13-24-10-7-8-11-25(24)20-29/h7-8,10-11,13-14,18-23,30H,5-6,9,12,15-17H2,1-4H3,(H,36,40)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161019
PNG
(3-Hydroxy-6-methyl-pyridine-2-carboxylic acid (6-m...)
Show SMILES Cc1cccc(NC(=O)c2nc(C)ccc2O)n1
Show InChI InChI=1S/C13H13N3O2/c1-8-4-3-5-11(14-8)16-13(18)12-10(17)7-6-9(2)15-12/h3-7,17H,1-2H3,(H,14,16,18)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161019
PNG
(3-Hydroxy-6-methyl-pyridine-2-carboxylic acid (6-m...)
Show SMILES Cc1cccc(NC(=O)c2nc(C)ccc2O)n1
Show InChI InChI=1S/C13H13N3O2/c1-8-4-3-5-11(14-8)16-13(18)12-10(17)7-6-9(2)15-12/h3-7,17H,1-2H3,(H,14,16,18)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161023
PNG
(3-Amino-6-methyl-pyrazine-2-carboxylic acid (6-met...)
Show SMILES Cc1cccc(NC(=O)c2nc(C)cnc2N)n1
Show InChI InChI=1S/C12H13N5O/c1-7-4-3-5-9(15-7)17-12(18)10-11(13)14-6-8(2)16-10/h3-6H,1-2H3,(H2,13,14)(H,15,17,18)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197996
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:2.10|
Show InChI InChI=1S/C32H38Cl2N4O2/c1-4-28(12-9-16-37(5-2)6-3)35-31(39)15-17-40-32-22-30(25-18-26(33)21-27(34)19-25)36-38(32)29-14-13-23-10-7-8-11-24(23)20-29/h7-8,10-11,13-14,18-22,28H,4-6,9,12,15-17H2,1-3H3,(H,35,39)
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161022
PNG
(6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxyl...)
Show SMILES Cc1cccc(NC(=O)c2nc(C)ccc2Nc2cccnc2)n1
Show InChI InChI=1S/C18H17N5O/c1-12-5-3-7-16(20-12)23-18(24)17-15(9-8-13(2)21-17)22-14-6-4-10-19-11-14/h3-11,22H,1-2H3,(H,20,23,24)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161013
PNG
(3-Amino-6-chloro-pyrazine-2-carboxylic acid pyridi...)
Show SMILES Nc1ncc(Cl)nc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C10H8ClN5O/c11-6-5-14-9(12)8(15-6)10(17)16-7-3-1-2-4-13-7/h1-5H,(H2,12,14)(H,13,16,17)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171050
PNG
((5-Ethoxy-[3,3']bipyridinyl-6-yl)-(6-methyl-pyridi...)
Show SMILES CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccnc1
Show InChI InChI=1S/C18H18N4O/c1-3-23-16-10-15(14-7-5-9-19-11-14)12-20-18(16)22-17-8-4-6-13(2)21-17/h4-12H,3H2,1-2H3,(H,20,21,22)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161024
PNG
(3-Amino-6-bromo-pyrazine-2-carboxylic acid pyridin...)
Show SMILES Nc1ncc(Br)nc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C10H8BrN5O/c11-6-5-14-9(12)8(15-6)10(17)16-7-3-1-2-4-13-7/h1-5H,(H2,12,14)(H,13,16,17)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171075
PNG
((5-Chloro-3-ethoxy-pyridin-2-yl)-(6-methyl-pyridin...)
Show SMILES CCOc1cc(Cl)cnc1Nc1cccc(C)n1
Show InChI InChI=1S/C13H14ClN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171065
PNG
(CHEMBL366242 | [3-Ethoxy-5-(pyridin-3-yloxy)-pyrid...)
Show SMILES CCOc1cc(Oc2cccnc2)cnc1Nc1cccc(C)n1
Show InChI InChI=1S/C18H18N4O2/c1-3-23-16-10-15(24-14-7-5-9-19-11-14)12-20-18(16)22-17-8-4-6-13(2)21-17/h4-12H,3H2,1-2H3,(H,20,21,22)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161020
PNG
(6-Bromo-pyridine-2-carboxylic acid (6-methyl-pyrid...)
Show SMILES Cc1cccc(NC(=O)c2cccc(Br)n2)n1
Show InChI InChI=1S/C12H10BrN3O/c1-8-4-2-7-11(14-8)16-12(17)9-5-3-6-10(13)15-9/h2-7H,1H3,(H,14,16,17)
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161029
PNG
(3-Amino-6-methyl-pyridine-2-carboxylic acid (6-met...)
Show SMILES Cc1cccc(NC(=O)c2nc(C)ccc2N)n1
Show InChI InChI=1S/C13H14N4O/c1-8-4-3-5-11(15-8)17-13(18)12-10(14)7-6-9(2)16-12/h3-7H,14H2,1-2H3,(H,15,17,18)
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161030
PNG
(3-Amino-6-chloro-5-isopropylamino-pyrazine-2-carbo...)
Show SMILES CC(C)Nc1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
Show InChI InChI=1S/C13H15ClN6O/c1-7(2)17-12-10(14)19-9(11(15)20-12)13(21)18-8-5-3-4-6-16-8/h3-7H,1-2H3,(H3,15,17,20)(H,16,18,21)
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161031
PNG
(3-Amino-6-methyl-pyrazine-2-carboxylic acid pyridi...)
Show SMILES Cc1cnc(N)c(n1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N5O/c1-7-6-14-10(12)9(15-7)11(17)16-8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14)(H,13,16,17)
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197988
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(C)NC(=O)CCNc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8|
Show InChI InChI=1S/C31H37Cl2N5O/c1-4-37(5-2)16-8-9-22(3)35-31(39)14-15-34-30-21-29(25-17-26(32)20-27(33)18-25)36-38(30)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22,34H,4-5,8-9,14-16H2,1-3H3,(H,35,39)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197982
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1)C(C)C |w:8.8|
Show InChI InChI=1S/C33H40Cl2N4O2/c1-5-38(6-2)16-9-12-30(23(3)4)36-32(40)15-17-41-33-22-31(26-18-27(34)21-28(35)19-26)37-39(33)29-14-13-24-10-7-8-11-25(24)20-29/h7-8,10-11,13-14,18-23,30H,5-6,9,12,15-17H2,1-4H3,(H,36,40)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161014
PNG
(6-Methyl-pyridine-2-carboxylic acid (6-methyl-pyri...)
Show SMILES Cc1cccc(NC(=O)c2cccc(C)n2)n1
Show InChI InChI=1S/C13H13N3O/c1-9-5-3-7-11(14-9)13(17)16-12-8-4-6-10(2)15-12/h3-8H,1-2H3,(H,15,16,17)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171052
PNG
((3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl...)
Show SMILES CCOc1cc(cnc1Nc1cccc(C)n1)-c1cncnc1
Show InChI InChI=1S/C17H17N5O/c1-3-23-15-7-13(14-8-18-11-19-9-14)10-20-17(15)22-16-6-4-5-12(2)21-16/h4-11H,3H2,1-2H3,(H,20,21,22)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171048
PNG
(2-[5-Ethoxy-6-(6-methyl-pyridin-2-ylamino)-pyridin...)
Show SMILES CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccc1C#N
Show InChI InChI=1S/C20H18N4O/c1-3-25-18-11-16(17-9-5-4-8-15(17)12-21)13-22-20(18)24-19-10-6-7-14(2)23-19/h4-11,13H,3H2,1-2H3,(H,22,23,24)
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171055
PNG
((3-Ethoxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-am...)
Show SMILES CCOc1cccnc1Nc1cccc(C)n1
Show InChI InChI=1S/C13H15N3O/c1-3-17-11-7-5-9-14-13(11)16-12-8-4-6-10(2)15-12/h4-9H,3H2,1-2H3,(H,14,15,16)
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197984
PNG
((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#7]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H31Cl2N7O3/c1-41-28(40)24(7-4-11-35-29(32)33)36-27(39)10-12-34-26-17-25(20-13-21(30)16-22(31)14-20)37-38(26)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24,34H,4,7,10-12H2,1H3,(H,36,39)(H4,32,33,35)/t24-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197978
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:3.11|
Show InChI InChI=1S/C33H40Cl2N4O2/c1-4-10-29(13-9-17-38(5-2)6-3)36-32(40)16-18-41-33-23-31(26-19-27(34)22-28(35)20-26)37-39(33)30-15-14-24-11-7-8-12-25(24)21-30/h7-8,11-12,14-15,19-23,29H,4-6,9-10,13,16-18H2,1-3H3,(H,36,40)
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171051
PNG
((5-Ethoxy-4'-methyl-[3,3']bipyridinyl-6-yl)-(6-met...)
Show SMILES CCOc1cc(cnc1Nc1cccc(C)n1)-c1cnccc1C
Show InChI InChI=1S/C19H20N4O/c1-4-24-17-10-15(16-12-20-9-8-13(16)2)11-21-19(17)23-18-7-5-6-14(3)22-18/h5-12H,4H2,1-3H3,(H,21,22,23)
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171073
PNG
(5-Ethoxy-6-(6-methyl-pyridin-2-ylamino)-nicotinoni...)
Show SMILES CCOc1cc(cnc1Nc1cccc(C)n1)C#N
Show InChI InChI=1S/C14H14N4O/c1-3-19-12-7-11(8-15)9-16-14(12)18-13-6-4-5-10(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,18)
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n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171061
PNG
((5-Bromo-3-ethoxy-pyridin-2-yl)-(6-methyl-pyridin-...)
Show SMILES CCOc1cc(Br)cnc1Nc1cccc(C)n1
Show InChI InChI=1S/C13H14BrN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17)
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n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197988
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(C)NC(=O)CCNc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8|
Show InChI InChI=1S/C31H37Cl2N5O/c1-4-37(5-2)16-8-9-22(3)35-31(39)14-15-34-30-21-29(25-17-26(32)20-27(33)18-25)36-38(30)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22,34H,4-5,8-9,14-16H2,1-3H3,(H,35,39)
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n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197993
PNG
((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#8]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H30Cl2N6O4/c1-40-28(39)24(7-4-11-34-29(32)33)35-26(38)10-12-41-27-17-25(20-13-21(30)16-22(31)14-20)36-37(27)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24H,4,7,10-12H2,1H3,(H,35,38)(H4,32,33,34)/t24-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50197995
PNG
((S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H32Cl2N6O3/c1-41-29(40)26(9-5-13-35-30(33)34)36-28(39)10-4-8-24-18-27(21-14-22(31)17-23(32)15-21)37-38(24)25-12-11-19-6-2-3-7-20(19)16-25/h2-3,6-7,11-12,14-18,26H,4-5,8-10,13H2,1H3,(H,36,39)(H4,33,34,35)/t26-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CCR5


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197981
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(C)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8|
Show InChI InChI=1S/C31H36Cl2N4O2/c1-4-36(5-2)15-8-9-22(3)34-30(38)14-16-39-31-21-29(25-17-26(32)20-27(33)18-25)35-37(31)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22H,4-5,8-9,14-16H2,1-3H3,(H,34,38)
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n/an/a 66n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197984
PNG
((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#7]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H31Cl2N7O3/c1-41-28(40)24(7-4-11-35-29(32)33)36-27(39)10-12-34-26-17-25(20-13-21(30)16-22(31)14-20)37-38(26)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24,34H,4,7,10-12H2,1H3,(H,36,39)(H4,32,33,35)/t24-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197999
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.12|
Show InChI InChI=1S/C34H42Cl2N4O2/c1-5-39(6-2)16-9-12-30(18-24(3)4)37-33(41)15-17-42-34-23-32(27-19-28(35)22-29(36)20-27)38-40(34)31-14-13-25-10-7-8-11-26(25)21-31/h7-8,10-11,13-14,19-24,30H,5-6,9,12,15-18H2,1-4H3,(H,37,41)
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n/an/a 74n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171056
PNG
(5'-Ethoxy-6'-(6-methyl-pyridin-2-ylamino)-[3,3']bi...)
Show SMILES CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccnc1C#N
Show InChI InChI=1S/C19H17N5O/c1-3-25-17-10-14(15-7-5-9-21-16(15)11-20)12-22-19(17)24-18-8-4-6-13(2)23-18/h4-10,12H,3H2,1-2H3,(H,22,23,24)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197996
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:2.10|
Show InChI InChI=1S/C32H38Cl2N4O2/c1-4-28(12-9-16-37(5-2)6-3)35-31(39)15-17-40-32-22-30(25-18-26(33)21-27(34)19-25)36-38(32)29-14-13-23-10-7-8-11-24(23)20-29/h7-8,10-11,13-14,18-22,28H,4-6,9,12,15-17H2,1-3H3,(H,35,39)
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n/an/a 83n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161025
PNG
(3-Amino-6-chloro-5-piperidin-1-yl-pyrazine-2-carbo...)
Show SMILES Nc1nc(N2CCCCC2)c(Cl)nc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C15H17ClN6O/c16-12-14(22-8-4-1-5-9-22)21-13(17)11(20-12)15(23)19-10-6-2-3-7-18-10/h2-3,6-7H,1,4-5,8-9H2,(H2,17,21)(H,18,19,23)
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n/an/a 103n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161017
PNG
(2-Hydroxy-5-methyl-N-(6-methyl-pyridin-2-yl)-benza...)
Show SMILES Cc1ccc(O)c(c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C14H14N2O2/c1-9-6-7-12(17)11(8-9)14(18)16-13-5-3-4-10(2)15-13/h3-8,17H,1-2H3,(H,15,16,18)
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n/an/a 105n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197991
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:5.13,2.2|
Show InChI InChI=1S/C35H44Cl2N4O2/c1-5-25(4)19-31(13-10-17-40(6-2)7-3)38-34(42)16-18-43-35-24-33(28-20-29(36)23-30(37)21-28)39-41(35)32-15-14-26-11-8-9-12-27(26)22-32/h8-9,11-12,14-15,20-25,31H,5-7,10,13,16-19H2,1-4H3,(H,38,42)
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n/an/a 107n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197980
PNG
(4-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8|
Show InChI InChI=1S/C32H38Cl2N4O/c1-4-37(5-2)17-9-10-23(3)35-32(39)14-8-13-29-22-31(26-18-27(33)21-28(34)19-26)36-38(29)30-16-15-24-11-6-7-12-25(24)20-30/h6-7,11-12,15-16,18-23H,4-5,8-10,13-14,17H2,1-3H3,(H,35,39)
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n/an/a 108n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50077117
PNG
(4-[2-(1-Methyl-pyrrolidin-2-yl)-ethylsulfanyl]-phe...)
Show SMILES CN1CCCC1CCSc1ccc(O)cc1
Show InChI InChI=1S/C13H19NOS/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3
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n/an/a 110n/an/an/an/an/an/a



SIBIA Neurosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes


J Med Chem 42: 1684-6 (1999)


Article DOI: 10.1021/jm990035d
BindingDB Entry DOI: 10.7270/Q2QC02PQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197993
PNG
((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#8]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H30Cl2N6O4/c1-40-28(39)24(7-4-11-34-29(32)33)35-26(38)10-12-41-27-17-25(20-13-21(30)16-22(31)14-20)36-37(27)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24H,4,7,10-12H2,1H3,(H,35,38)(H4,32,33,34)/t24-/m0/s1
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n/an/a 118n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171071
PNG
((3-Ethoxy-5-methyl-pyridin-2-yl)-(6-methyl-pyridin...)
Show SMILES CCOc1cc(C)cnc1Nc1cccc(C)n1
Show InChI InChI=1S/C14H17N3O/c1-4-18-12-8-10(2)9-15-14(12)17-13-7-5-6-11(3)16-13/h5-9H,4H2,1-3H3,(H,15,16,17)
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n/an/a 119n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171057
PNG
(CHEMBL370784 | [3-Ethoxy-5-(3-fluoro-phenyl)-pyrid...)
Show SMILES CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccc(F)c1
Show InChI InChI=1S/C19H18FN3O/c1-3-24-17-11-15(14-7-5-8-16(20)10-14)12-21-19(17)23-18-9-4-6-13(2)22-18/h4-12H,3H2,1-2H3,(H,21,22,23)
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n/an/a 126n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161028
PNG
(3-Amino-6-chloro-5-dimethylamino-pyrazine-2-carbox...)
Show SMILES CN(C)c1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
Show InChI InChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-5-3-4-6-15-7/h3-6H,1-2H3,(H2,14,18)(H,15,16,20)
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n/an/a 134n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50171067
PNG
((3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine | CHEMB...)
Show SMILES CCOc1cccnc1Nc1ccccn1
Show InChI InChI=1S/C12H13N3O/c1-2-16-10-6-5-9-14-12(10)15-11-7-3-4-8-13-11/h3-9H,2H2,1H3,(H,13,14,15)
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n/an/a 138n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection


Bioorg Med Chem Lett 15: 4350-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.059
BindingDB Entry DOI: 10.7270/Q2QZ29H0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161016
PNG
(6-Chloro-3-methylamino-pyrazine-2-carboxylic acid ...)
Show SMILES CNc1ncc(Cl)nc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C11H10ClN5O/c1-13-10-9(16-7(12)6-15-10)11(18)17-8-4-2-3-5-14-8/h2-6H,1H3,(H,13,15)(H,14,17,18)
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n/an/a 145n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197978
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:3.11|
Show InChI InChI=1S/C33H40Cl2N4O2/c1-4-10-29(13-9-17-38(5-2)6-3)36-32(40)16-18-41-33-23-31(26-19-27(34)22-28(35)20-26)37-39(33)30-15-14-24-11-7-8-12-25(24)21-30/h7-8,11-12,14-15,19-23,29H,4-6,9-10,13,16-18H2,1-3H3,(H,36,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50161027
PNG
(6-Chloro-5-dimethylamino-pyrazine-2-carboxylic aci...)
Show SMILES CN(C)c1ncc(nc1Cl)C(=O)Nc1ccccn1
Show InChI InChI=1S/C12H12ClN5O/c1-18(2)11-10(13)16-8(7-15-11)12(19)17-9-5-3-4-6-14-9/h3-7H,1-2H3,(H,14,17,19)
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n/an/a 158n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...


Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair
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