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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'mattsson' and Initial = 'jp'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24198
PNG
(3-aminopropylphosphinic derivative, (R)-8 | [(2R)-...)
Show SMILES CP(O)(=O)C[C@H](F)CN
Show InChI InChI=1S/C4H11FNO2P/c1-9(7,8)3-4(5)2-6/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
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4.30 -47.3n/an/a 14n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24195
PNG
(3-aminopropylphosphinic derivative, (R)-7 | AZD335...)
Show SMILES NC[C@@H](F)CP(O)=O
Show InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
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5.10 -46.9n/an/a 8.64n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24193
PNG
((3-amino-2-fluoropropyl)phosphinic acid | 3-aminop...)
Show SMILES NCC(F)CP(O)=O
Show InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)
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PubMed
10 -45.2n/an/a 15n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24196
PNG
((3-amino-2-fluoropropyl)(methyl)phosphinic acid | ...)
Show SMILES CP(O)(=O)CC(F)CN
Show InChI InChI=1S/C4H11FNO2P/c1-9(7,8)3-4(5)2-6/h4H,2-3,6H2,1H3,(H,7,8)
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14 -44.4n/an/a 23n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24184
PNG
((3-aminopropyl)phosphinic acid | 3-aminopropylphos...)
Show SMILES NCCCP(O)=O
Show InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)
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15 -44.2n/an/a 19n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24185
PNG
((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...)
Show SMILES CP(O)(=O)CCCN
Show InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
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33 -42.3n/an/a 41n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24191
PNG
((3-amino-2-oxopropyl)phosphinic acid | (3-amino-2-...)
Show SMILES NCC(=O)CP(O)=O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h8H,1-2,4H2,(H,6,7)
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48 -41.4n/an/a 81n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24186
PNG
((3-amino-2-hydroxypropyl)phosphinic acid | 3-amino...)
Show SMILES NCC(=O)CP(O)O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h6-7H,1-2,4H2
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50 -41.3n/an/a 130n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24194
PNG
(3-aminopropylphosphinic derivative, (S)-7 | [(2S)-...)
Show SMILES NC[C@H](F)CP(O)=O
Show InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
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70 -40.4n/an/a 250n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24186
PNG
((3-amino-2-hydroxypropyl)phosphinic acid | 3-amino...)
Show SMILES NCC(=O)CP(O)O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h6-7H,1-2,4H2
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94 -39.7n/an/a 220n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24189
PNG
(3-aminopropylphosphinic derivative, (R)-4 | 3-amin...)
Show SMILES CP(O)(O)CC(=O)CN
Show InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h7-9H,2-3,5H2,1H3
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180 -38.1n/an/a 150n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24192
PNG
((3-amino-2-oxopropyl)(methyl)phosphinic acid | (3-...)
Show SMILES CP(O)(=O)CC(=O)CN
Show InChI InChI=1S/C4H10NO3P/c1-9(7,8)3-4(6)2-5/h2-3,5H2,1H3,(H,7,8)
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200 -37.9n/an/a 270n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24182
PNG
(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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220 -37.6n/an/a 750n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24197
PNG
(3-aminopropylphosphinic derivative, (S)-8 | [(2S)-...)
Show SMILES CP(O)(=O)C[C@@H](F)CN
Show InChI InChI=1S/C4H11FNO2P/c1-9(7,8)3-4(5)2-6/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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480 -35.7n/an/a 1.70E+3n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24189
PNG
(3-aminopropylphosphinic derivative, (R)-4 | 3-amin...)
Show SMILES CP(O)(O)CC(=O)CN
Show InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h7-9H,2-3,5H2,1H3
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840 -34.3n/an/a 600n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24186
PNG
((3-amino-2-hydroxypropyl)phosphinic acid | 3-amino...)
Show SMILES NCC(=O)CP(O)O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h6-7H,1-2,4H2
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2.10E+3 -32.1n/an/a 1.10E+3n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 22n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Adenosinetriphosphatase


(Gallus gallus)
BDBM50064186
PNG
((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...)
Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C
Show InChI InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca R & D M£lndal

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of osteoclast vacuolar ATPase derived from chicken medullary bone


Bioorg Med Chem Lett 10: 503-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00025-1
BindingDB Entry DOI: 10.7270/Q2542P4C
More data for this
Ligand-Target Pair
Adenosinetriphosphatase


(Gallus gallus)
BDBM50064182
PNG
((2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...)
Show SMILES CO\C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)NC(C)(C)C1
Show InChI InChI=1S/C23H29Cl2N3O2/c1-22(2)12-16(13-23(3,4)28-22)27-21(29)20(30-5)8-6-7-15-9-14-10-17(24)18(25)11-19(14)26-15/h6-11,16,26,28H,12-13H2,1-5H3,(H,27,29)/b7-6+,20-8-
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n/an/a 49n/an/an/an/an/an/a



AstraZeneca R & D M£lndal

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of osteoclast vacuolar ATPase derived from chicken medullary bone


Bioorg Med Chem Lett 10: 503-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00025-1
BindingDB Entry DOI: 10.7270/Q2542P4C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182823
PNG
(4-(3,4-dichlorophenylthio)-2-(5-fluoropyridin-2-yl...)
Show SMILES Fc1ccc(nc1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C15H8Cl2FN3S/c16-11-3-2-10(7-12(11)17)22-14-5-6-19-15(21-14)13-4-1-9(18)8-20-13/h1-8H
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n/an/a 80n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182811
PNG
(4-(3,4-dichlorophenylthio)-2-(pyridin-2-yl)pyrimid...)
Show SMILES Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1Cl
Show InChI InChI=1S/C15H9Cl2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H
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n/an/a 90n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50179654
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-4-oxoimidazolidin-2-...)
Show SMILES CCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H13ClN4O2/c1-2-17-7-10(18)15-11(17)16-12(19)14-9-5-3-4-8(13)6-9/h3-7,18H,2H2,1H3,(H2,14,15,16,19)
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n/an/a 180n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182813
PNG
(2-(pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)...)
Show SMILES FC(F)(F)c1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
Show InChI InChI=1S/C16H10F3N3S/c17-16(18,19)11-4-6-12(7-5-11)23-14-8-10-21-15(22-14)13-3-1-2-9-20-13/h1-10H
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NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179654
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-4-oxoimidazolidin-2-...)
Show SMILES CCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H13ClN4O2/c1-2-17-7-10(18)15-11(17)16-12(19)14-9-5-3-4-8(13)6-9/h3-7,18H,2H2,1H3,(H2,14,15,16,19)
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n/an/a 250n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179643
PNG
(1-(3-chlorophenyl)-3-(3-methylthiazolidin-2-yliden...)
Show SMILES CN1CCSC1=NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H12ClN3OS/c1-15-5-6-17-11(15)14-10(16)13-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,16)
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50179642
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-5-methyl-4-oxoimidaz...)
Show SMILES CCn1c(C)c(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H15ClN4O2/c1-3-18-8(2)11(19)16-12(18)17-13(20)15-10-6-4-5-9(14)7-10/h4-7,19H,3H2,1-2H3,(H2,15,16,17,20)
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n/an/a 320n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182822
PNG
(4-(4-chlorophenylthio)-2-(pyridin-2-yl)pyrimidine ...)
Show SMILES Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H10ClN3S/c16-11-4-6-12(7-5-11)20-14-8-10-18-15(19-14)13-3-1-2-9-17-13/h1-10H
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n/an/a 320n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 330n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179667
PNG
(1-(3-bromophenyl)-3-(1-methyl-4-oxoimidazolidin-2-...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C11H11BrN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 380n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182819
PNG
(4-(3,4-dichlorophenylthio)-2-(6-methylpyridin-2-yl...)
Show SMILES Cc1cccc(n1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C16H11Cl2N3S/c1-10-3-2-4-14(20-10)16-19-8-7-15(21-16)22-11-5-6-12(17)13(18)9-11/h2-9H,1H3
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n/an/a 390n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179642
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-5-methyl-4-oxoimidaz...)
Show SMILES CCn1c(C)c(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H15ClN4O2/c1-3-18-8(2)11(19)16-12(18)17-13(20)15-10-6-4-5-9(14)7-10/h4-7,19H,3H2,1-2H3,(H2,15,16,17,20)
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n/an/a 410n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 460n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179645
PNG
(1-(3-chlorophenyl)-3-(1,5-dimethyl-4-oxoimidazolid...)
Show SMILES Cc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C
Show InChI InChI=1S/C12H13ClN4O2/c1-7-10(18)15-11(17(7)2)16-12(19)14-9-5-3-4-8(13)6-9/h3-6,18H,1-2H3,(H2,14,15,16,19)
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n/an/a 490n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182816
PNG
(2-(pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)...)
Show SMILES FC(F)(F)c1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Show InChI InChI=1S/C16H10F3N3S/c17-16(18,19)11-4-3-5-12(10-11)23-14-7-9-21-15(22-14)13-6-1-2-8-20-13/h1-10H
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n/an/a 550n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179669
PNG
(1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-m-tolyl...)
Show SMILES Cc1cccc(NC(=O)Nc2nc(O)cn2C)c1
Show InChI InChI=1S/C12H14N4O2/c1-8-4-3-5-9(6-8)13-12(18)15-11-14-10(17)7-16(11)2/h3-7,17H,1-2H3,(H2,13,14,15,18)
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n/an/a 550n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182809
PNG
(4-(3-chlorophenylthio)-2-(pyridin-2-yl)pyrimidine ...)
Show SMILES Clc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Show InChI InChI=1S/C15H10ClN3S/c16-11-4-3-5-12(10-11)20-14-7-9-18-15(19-14)13-6-1-2-8-17-13/h1-10H
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n/an/a 620n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179641
PNG
(1-(3-chlorophenyl)-3-(1-methylpyrrolidin-2-ylidene...)
Show SMILES CN1CCCC1=NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClN3O/c1-16-7-3-6-11(16)15-12(17)14-10-5-2-4-9(13)8-10/h2,4-5,8H,3,6-7H2,1H3,(H,14,17)
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n/an/a 620n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179646
PNG
(1-(1-butyl-4-oxoimidazolidin-2-ylidene)-3-(3-chlor...)
Show SMILES CCCCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN4O2/c1-2-3-7-19-9-12(20)17-13(19)18-14(21)16-11-6-4-5-10(15)8-11/h4-6,8-9,20H,2-3,7H2,1H3,(H2,16,17,18,21)
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n/an/a 680n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179640
PNG
(1-(3-chlorophenyl)-3-(1-oxo-hexahydropyrrolo[1,2-e...)
Show SMILES Oc1nc(NC(=O)Nc2cccc(Cl)c2)n2CCCc12
Show InChI InChI=1S/C13H13ClN4O2/c14-8-3-1-4-9(7-8)15-13(20)17-12-16-11(19)10-5-2-6-18(10)12/h1,3-4,7,19H,2,5-6H2,(H2,15,16,17,20)
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n/an/a 800n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50179643
PNG
(1-(3-chlorophenyl)-3-(3-methylthiazolidin-2-yliden...)
Show SMILES CN1CCSC1=NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H12ClN3OS/c1-15-5-6-17-11(15)14-10(16)13-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,16)
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182814
PNG
(4-(4-chlorophenylthio)-6-methyl-2-(pyridin-2-yl)py...)
Show SMILES Cc1cc(Sc2ccc(Cl)cc2)nc(n1)-c1ccccn1
Show InChI InChI=1S/C16H12ClN3S/c1-11-10-15(21-13-7-5-12(17)6-8-13)20-16(19-11)14-4-2-3-9-18-14/h2-10H,1H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50179645
PNG
(1-(3-chlorophenyl)-3-(1,5-dimethyl-4-oxoimidazolid...)
Show SMILES Cc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C
Show InChI InChI=1S/C12H13ClN4O2/c1-7-10(18)15-11(17(7)2)16-12(19)14-9-5-3-4-8(13)6-9/h3-6,18H,1-2H3,(H2,14,15,16,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50179646
PNG
(1-(1-butyl-4-oxoimidazolidin-2-ylidene)-3-(3-chlor...)
Show SMILES CCCCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN4O2/c1-2-3-7-19-9-12(20)17-13(19)18-14(21)16-11-6-4-5-10(15)8-11/h4-6,8-9,20H,2-3,7H2,1H3,(H2,16,17,18,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179644
PNG
(1-(1-methyl-4-oxo-5-phenylimidazolidin-2-ylidene)-...)
Show SMILES Cc1cccc(NC(=O)Nc2nc(O)c(-c3ccccc3)n2C)c1
Show InChI InChI=1S/C18H18N4O2/c1-12-7-6-10-14(11-12)19-18(24)21-17-20-16(23)15(22(17)2)13-8-4-3-5-9-13/h3-11,23H,1-2H3,(H2,19,20,21,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Adenosinetriphosphatase


(Gallus gallus)
BDBM50086850
PNG
((2E,4E)-Hexa-2,4-dienedioic acid (3,4-dichloro-phe...)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)\C=C\C=C\C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H27Cl2N3O2/c1-20(2)12-15(13-21(3,4)26-20)25-19(28)8-6-5-7-18(27)24-14-9-10-16(22)17(23)11-14/h5-11,15,26H,12-13H2,1-4H3,(H,24,27)(H,25,28)/b7-5+,8-6+
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca R & D M£lndal

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of osteoclast vacuolar acid pump


Bioorg Med Chem Lett 10: 503-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00025-1
BindingDB Entry DOI: 10.7270/Q2542P4C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182821
PNG
(4-(3,4-difluorophenylthio)-2-(pyridin-2-yl)pyrimid...)
Show SMILES Fc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1F
Show InChI InChI=1S/C15H9F2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H
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n/an/a 1.52E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50179640
PNG
(1-(3-chlorophenyl)-3-(1-oxo-hexahydropyrrolo[1,2-e...)
Show SMILES Oc1nc(NC(=O)Nc2cccc(Cl)c2)n2CCCc12
Show InChI InChI=1S/C13H13ClN4O2/c14-8-3-1-4-9(7-8)15-13(20)17-12-16-11(19)10-5-2-6-18(10)12/h1,3-4,7,19H,2,5-6H2,(H2,15,16,17,20)
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n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179657
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(6-...)
Show SMILES Cc1cccnc1NC(=O)Nc1nc(O)cn1C
Show InChI InChI=1S/C11H13N5O2/c1-7-4-3-5-12-9(7)14-11(18)15-10-13-8(17)6-16(10)2/h3-6,17H,1-2H3,(H2,12,13,14,15,18)
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50179641
PNG
(1-(3-chlorophenyl)-3-(1-methylpyrrolidin-2-ylidene...)
Show SMILES CN1CCCC1=NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClN3O/c1-16-7-3-6-11(16)15-12(17)14-10-5-2-4-9(13)8-10/h2,4-5,8H,3,6-7H2,1H3,(H,14,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182815
PNG
(2-(pyridin-2-yl)-4-(m-tolylthio)pyrimidine | CHEMB...)
Show SMILES Cc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Show InChI InChI=1S/C16H13N3S/c1-12-5-4-6-13(11-12)20-15-8-10-18-16(19-15)14-7-2-3-9-17-14/h2-11H,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
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