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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'ringer' and Initial = 'tj'   
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
Metabotropic glutamate receptor


(RAT)
BDBM50197275
PNG
(CHEMBL246023 | N-(2-(4-fluorophenyl)-2-methylpropy...)
Show SMILES CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O/c1-19(2,13-7-9-14(20)10-8-13)12-22-18(24)17-11-21-15-5-3-4-6-16(15)23-17/h3-11H,12H2,1-2H3,(H,22,24)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197248
PNG
(CHEMBL246244 | N-(2-methyl-2-phenylpropyl)-5,6,7,8...)
Show SMILES CC(C)(CNC(=O)c1cnc2CCCCc2n1)c1ccccc1
Show InChI InChI=1S/C19H23N3O/c1-19(2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,21,23)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197249
PNG
(CHEMBL245819 | N-(2-methyl-2-phenylpropyl)quinoxal...)
Show SMILES CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C19H19N3O/c1-19(2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-12H,13H2,1-2H3,(H,21,23)
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197254
PNG
(CHEMBL246250 | N-((1r,4r)-4-methylcyclohexyl)-5-(p...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCCCC1 |wU:4.7,wD:1.0,(7.01,-30.31,;5.68,-31.07,;4.34,-30.31,;3.01,-31.08,;3.02,-32.61,;4.35,-33.38,;5.68,-32.61,;1.69,-33.39,;.35,-32.62,;.35,-31.08,;-.98,-33.4,;-.97,-34.95,;-2.31,-35.72,;-3.64,-34.95,;-3.64,-33.4,;-2.31,-32.63,;-4.97,-35.72,;-6.31,-34.95,;-7.64,-35.71,;-7.65,-37.25,;-6.31,-38.02,;-4.97,-37.26,)|
Show InChI InChI=1S/C17H26N4O/c1-13-5-7-14(8-6-13)20-17(22)15-11-19-16(12-18-15)21-9-3-2-4-10-21/h11-14H,2-10H2,1H3,(H,20,22)/t13-,14-
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197247
PNG
(CHEMBL246251 | N-cycloheptyl-5-(piperidin-1-yl)pyr...)
Show SMILES O=C(NC1CCCCCC1)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C17H26N4O/c22-17(20-14-8-4-1-2-5-9-14)15-12-19-16(13-18-15)21-10-6-3-7-11-21/h12-14H,1-11H2,(H,20,22)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197268
PNG
(5-(4-(hydroxymethyl)piperidin-1-yl)-N-((1r,4r)-4-m...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCC(CO)CC1 |wU:4.7,wD:1.0,(9.04,-40.15,;7.71,-40.92,;6.38,-40.15,;5.04,-40.92,;5.05,-42.45,;6.38,-43.22,;7.71,-42.46,;3.72,-43.23,;2.38,-42.46,;2.38,-40.92,;1.05,-43.24,;1.06,-44.79,;-.28,-45.56,;-1.61,-44.79,;-1.61,-43.25,;-.28,-42.48,;-2.95,-45.56,;-4.28,-44.79,;-5.61,-45.55,;-5.62,-47.09,;-6.96,-47.85,;-8.29,-47.08,;-4.29,-47.87,;-2.94,-47.1,)|
Show InChI InChI=1S/C18H28N4O2/c1-13-2-4-15(5-3-13)21-18(24)16-10-20-17(11-19-16)22-8-6-14(12-23)7-9-22/h10-11,13-15,23H,2-9,12H2,1H3,(H,21,24)/t13-,15-
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197272
PNG
(CHEMBL246245 | N-(2-methyl-2-phenylpropyl)-6-(pipe...)
Show SMILES CC(C)(CNC(=O)c1cncc(n1)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-20(2,16-9-5-3-6-10-16)15-22-19(25)17-13-21-14-18(23-17)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,22,25)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197276
PNG
(5-((2-cyanoethyl)(methyl)amino)-N-(2-methyl-2-phen...)
Show SMILES CN(CCC#N)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1
Show InChI InChI=1S/C19H23N5O/c1-19(2,15-8-5-4-6-9-15)14-23-18(25)16-12-22-17(13-21-16)24(3)11-7-10-20/h4-6,8-9,12-13H,7,11,14H2,1-3H3,(H,23,25)
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197266
PNG
(CHEMBL246024 | N-(2-methoxy-2-phenylpropyl)quinoxa...)
Show SMILES COC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:2.2|
Show InChI InChI=1S/C19H19N3O2/c1-19(24-2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-12H,13H2,1-2H3,(H,21,23)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257637
PNG
(1-(4-aminopyridin-2-yl)-4-phenyl-N-(quinolin-2-yl)...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)(C(=O)Nc1ccc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C26H25N5O/c27-21-12-15-28-24(18-21)31-16-13-26(14-17-31,20-7-2-1-3-8-20)25(32)30-23-11-10-19-6-4-5-9-22(19)29-23/h1-12,15,18H,13-14,16-17H2,(H2,27,28)(H,29,30,32)
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197255
PNG
(CHEMBL443489 | N-(2-methyl-2-phenylpropyl)-5-(pipe...)
Show SMILES CC(C)(CNC(=O)c1cnc(cn1)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-20(2,16-9-5-3-6-10-16)15-23-19(25)17-13-22-18(14-21-17)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,23,25)
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257723
PNG
(2-(3-phenyl-3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES Nc1ccnc(c1)N1CCC2(CC1)OC(c1ccccc21)c1ccccc1
Show InChI InChI=1S/C23H23N3O/c24-18-10-13-25-21(16-18)26-14-11-23(12-15-26)20-9-5-4-8-19(20)22(27-23)17-6-2-1-3-7-17/h1-10,13,16,22H,11-12,14-15H2,(H2,24,25)
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197265
PNG
(CHEMBL241699 | N-(2-phenylpropyl)quinoxaline-2-car...)
Show SMILES CC(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C18H17N3O/c1-13(14-7-3-2-4-8-14)11-20-18(22)17-12-19-15-9-5-6-10-16(15)21-17/h2-10,12-13H,11H2,1H3,(H,20,22)
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22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197257
PNG
(5-((1-(dimethylamino)propan-2-yl)(methyl)amino)-N-...)
Show SMILES CC(CN(C)C)N(C)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C21H31N5O/c1-16(14-25(4)5)26(6)19-13-22-18(12-23-19)20(27)24-15-21(2,3)17-10-8-7-9-11-17/h7-13,16H,14-15H2,1-6H3,(H,24,27)
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197270
PNG
((R)-6-(2-hydroxy-1-phenylethylamino)-N-(2-methyl-2...)
Show SMILES CC(C)(CNC(=O)c1cncc(N[C@@H](CO)c2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-23(2,18-11-7-4-8-12-18)16-25-22(29)19-13-24-14-21(26-19)27-20(15-28)17-9-5-3-6-10-17/h3-14,20,28H,15-16H2,1-2H3,(H,25,29)(H,26,27)/t20-/m0/s1
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197251
PNG
(6-(butyl(methyl)amino)-N-cycloheptylpyrazine-2-car...)
Show SMILES CCCCN(C)c1cncc(n1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C17H28N4O/c1-3-4-11-21(2)16-13-18-12-15(20-16)17(22)19-14-9-7-5-6-8-10-14/h12-14H,3-11H2,1-2H3,(H,19,22)
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257639
PNG
((1-(4-aminopyridin-2-yl)-4-phenylpiperidin-4-yl)(3...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)(C(=O)N1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C26H28N4O/c27-23-10-14-28-24(18-23)29-16-12-26(13-17-29,22-8-2-1-3-9-22)25(31)30-15-11-20-6-4-5-7-21(20)19-30/h1-10,14,18H,11-13,15-17,19H2,(H2,27,28)
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35n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197264
PNG
(5-(4-(hydroxymethyl)piperidin-1-yl)-N-(2-methyl-2-...)
Show SMILES CC(C)(CNC(=O)c1cnc(cn1)N1CCC(CO)CC1)c1ccccc1
Show InChI InChI=1S/C21H28N4O2/c1-21(2,17-6-4-3-5-7-17)15-24-20(27)18-12-23-19(13-22-18)25-10-8-16(14-26)9-11-25/h3-7,12-13,16,26H,8-11,14-15H2,1-2H3,(H,24,27)
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35n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197252
PNG
(CHEMBL247485 | N-(2,3-dihydro-1H-inden-2-yl)-6-(et...)
Show SMILES CCN(C)c1cncc(n1)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C17H20N4O/c1-3-21(2)16-11-18-10-15(20-16)17(22)19-14-8-12-6-4-5-7-13(12)9-14/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,19,22)
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197245
PNG
(CHEMBL393681 | N-(2-methyl-1-phenylpropan-2-yl)qui...)
Show SMILES CC(C)(Cc1ccccc1)NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C19H19N3O/c1-19(2,12-14-8-4-3-5-9-14)22-18(23)17-13-20-15-10-6-7-11-16(15)21-17/h3-11,13H,12H2,1-2H3,(H,22,23)
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197262
PNG
(CHEMBL246025 | N-(2-methyl-2-(pyridin-2-yl)propyl)...)
Show SMILES CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccn1
Show InChI InChI=1S/C18H18N4O/c1-18(2,16-9-5-6-10-19-16)12-21-17(23)15-11-20-13-7-3-4-8-14(13)22-15/h3-11H,12H2,1-2H3,(H,21,23)
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197267
PNG
(6-((2-hydroxyethyl)(methyl)amino)-N-(2-methyl-2-ph...)
Show SMILES CN(CCO)c1cncc(n1)C(=O)NCC(C)(C)c1ccccc1
Show InChI InChI=1S/C18H24N4O2/c1-18(2,14-7-5-4-6-8-14)13-20-17(24)15-11-19-12-16(21-15)22(3)9-10-23/h4-8,11-12,23H,9-10,13H2,1-3H3,(H,20,24)
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43n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197253
PNG
(6-(3-hydroxyphenethylamino)-N-(cyclopropylmethyl)p...)
Show SMILES Oc1cccc(CCNc2cncc(n2)C(=O)NCC2CC2)c1
Show InChI InChI=1S/C17H20N4O2/c22-14-3-1-2-12(8-14)6-7-19-16-11-18-10-15(21-16)17(23)20-9-13-4-5-13/h1-3,8,10-11,13,22H,4-7,9H2,(H,19,21)(H,20,23)
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44n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197259
PNG
(6-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclopropylmethy...)
Show SMILES O=C(NCC1CC1)c1cncc(n1)N1CCCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27N5O/c27-21(23-13-17-7-8-17)19-14-22-15-20(24-19)26-10-4-9-25(11-12-26)16-18-5-2-1-3-6-18/h1-3,5-6,14-15,17H,4,7-13,16H2,(H,23,27)
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56n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197271
PNG
(CHEMBL245820 | N-phenethylquinoxaline-2-carboxamid...)
Show SMILES O=C(NCCc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C17H15N3O/c21-17(18-11-10-13-6-2-1-3-7-13)16-12-19-14-8-4-5-9-15(14)20-16/h1-9,12H,10-11H2,(H,18,21)
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69n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257684
PNG
(CHEMBL495346 | N-(1-(4-aminopyridin-2-yl)-4-phenyl...)
Show SMILES COc1ccc(C(=O)NC2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C25H28N4O3/c1-31-20-8-9-21(22(17-20)32-2)24(30)28-25(18-6-4-3-5-7-18)11-14-29(15-12-25)23-16-19(26)10-13-27-23/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,30)
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82n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197273
PNG
((3-phenylpiperidin-1-yl)(quinoxalin-2-yl)methanone...)
Show SMILES O=C(N1CCCC(C1)c1ccccc1)c1cnc2ccccc2n1 |w:6.8|
Show InChI InChI=1S/C20H19N3O/c24-20(19-13-21-17-10-4-5-11-18(17)22-19)23-12-6-9-16(14-23)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2
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125n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257638
PNG
(CHEMBL493743 | ethyl 4-(1-(4-aminopyridin-2-yl)-4-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1(CCN(CC1)c1cc(N)ccn1)c1ccccc1
Show InChI InChI=1S/C24H31N5O3/c1-2-32-23(31)29-16-14-28(15-17-29)22(30)24(19-6-4-3-5-7-19)9-12-27(13-10-24)21-18-20(25)8-11-26-21/h3-8,11,18H,2,9-10,12-17H2,1H3,(H2,25,26)
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169n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197258
PNG
(CHEMBL247476 | N-(2-methyl-2-phenylpropyl)-5-pheny...)
Show SMILES CC(C)(CNC(=O)c1cnc(cn1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21N3O/c1-21(2,17-11-7-4-8-12-17)15-24-20(25)19-14-22-18(13-23-19)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,24,25)
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179n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257683
PNG
(1-(4-aminopyridin-2-yl)-N-(4-methoxybenzyl)-4-phen...)
Show SMILES COc1ccc(CNC(=O)C2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O2/c1-31-22-9-7-19(8-10-22)18-28-24(30)25(20-5-3-2-4-6-20)12-15-29(16-13-25)23-17-21(26)11-14-27-23/h2-11,14,17H,12-13,15-16,18H2,1H3,(H2,26,27)(H,28,30)
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201n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197269
PNG
(CHEMBL247475 | N-(2-methyl-2-phenylpropyl)-6-pheny...)
Show SMILES CC(C)(CNC(=O)c1cncc(n1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21N3O/c1-21(2,17-11-7-4-8-12-17)15-23-20(25)19-14-22-13-18(24-19)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,23,25)
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315n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257685
PNG
(CHEMBL492330 | N-(1-(4-aminopyridin-2-yl)-4-phenyl...)
Show SMILES COc1ccc(cc1Cl)C(=O)NC1(CCN(CC1)c1cc(N)ccn1)c1ccccc1
Show InChI InChI=1S/C24H25ClN4O2/c1-31-21-8-7-17(15-20(21)25)23(30)28-24(18-5-3-2-4-6-18)10-13-29(14-11-24)22-16-19(26)9-12-27-22/h2-9,12,15-16H,10-11,13-14H2,1H3,(H2,26,27)(H,28,30)
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343n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197274
PNG
((8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-2...)
Show SMILES CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H28N8O/c1-26-11-13-28(14-12-26)20-21-25-18(17-30(21)10-7-24-20)22(31)29-9-4-8-27(15-16-29)19-5-2-3-6-23-19/h2-3,5-7,10,17H,4,8-9,11-16H2,1H3
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407n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197261
PNG
(CHEMBL393507 | N-(2-(methylamino)-2-phenylpropyl)q...)
Show SMILES CNC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:2.2|
Show InChI InChI=1S/C19H20N4O/c1-19(20-2,14-8-4-3-5-9-14)13-22-18(24)17-12-21-15-10-6-7-11-16(15)23-17/h3-12,20H,13H2,1-2H3,(H,22,24)
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510n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257833
PNG
(3-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-1-benzyl...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H24N6O/c24-18-8-12-25-21(15-18)27-13-9-19(10-14-27)29-22-20(7-4-11-26-22)28(23(29)30)16-17-5-2-1-3-6-17/h1-8,11-12,15,19H,9-10,13-14,16H2,(H2,24,25)
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518n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257686
PNG
(CHEMBL522317 | N-(1-(4-aminopyridin-2-yl)-4-phenyl...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)(NC(=O)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H23N5O/c23-18-9-13-25-20(16-18)27-14-10-22(11-15-27,17-6-2-1-3-7-17)26-21(28)19-8-4-5-12-24-19/h1-9,12-13,16H,10-11,14-15H2,(H2,23,25)(H,26,28)
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548n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197250
PNG
((8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-2...)
Show SMILES CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C23H30N8O/c1-18-5-3-6-20(25-18)28-8-4-9-30(16-15-28)23(32)19-17-31-10-7-24-21(22(31)26-19)29-13-11-27(2)12-14-29/h3,5-7,10,17H,4,8-9,11-16H2,1-2H3
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650n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257834
PNG
(3-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-1-(cyclo...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(CC2CC2)c1=O
Show InChI InChI=1S/C20H24N6O/c21-15-5-9-22-18(12-15)24-10-6-16(7-11-24)26-19-17(2-1-8-23-19)25(20(26)27)13-14-3-4-14/h1-2,5,8-9,12,14,16H,3-4,6-7,10-11,13H2,(H2,21,22)
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746n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257831
PNG
(3-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-1-(4-met...)
Show SMILES COc1ccc(cc1)-n1c2cccnc2n(C2CCN(CC2)c2cc(N)ccn2)c1=O
Show InChI InChI=1S/C23H24N6O2/c1-31-19-6-4-17(5-7-19)28-20-3-2-11-26-22(20)29(23(28)30)18-9-13-27(14-10-18)21-15-16(24)8-12-25-21/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H2,24,25)
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865n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257832
PNG
(3-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-1-phenyl...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(-c2ccccc2)c1=O
Show InChI InChI=1S/C22H22N6O/c23-16-8-12-24-20(15-16)26-13-9-18(10-14-26)28-21-19(7-4-11-25-21)27(22(28)29)17-5-2-1-3-6-17/h1-8,11-12,15,18H,9-10,13-14H2,(H2,23,24)
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903n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197263
PNG
((8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-2...)
Show SMILES CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCC(C1)c1ccccc1 |w:22.27|
Show InChI InChI=1S/C23H28N6O/c1-26-12-14-27(15-13-26)21-22-25-20(17-28(22)11-9-24-21)23(30)29-10-5-8-19(16-29)18-6-3-2-4-7-18/h2-4,6-7,9,11,17,19H,5,8,10,12-16H2,1H3
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1.09E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197256
PNG
(8-(4-methylpiperazin-1-yl)-N-(2-phenylpropyl)imida...)
Show SMILES CC(CNC(=O)c1cn2ccnc(N3CCN(C)CC3)c2n1)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C21H26N6O/c1-16(17-6-4-3-5-7-17)14-23-21(28)18-15-27-9-8-22-19(20(27)24-18)26-12-10-25(2)11-13-26/h3-9,15-16H,10-14H2,1-2H3,(H,23,28)
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1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197246
PNG
(2-methyl-2-phenyl-N-(quinoxalin-2-ylmethyl)propan-...)
Show SMILES CC(C)(CNCc1cnc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C19H21N3/c1-19(2,15-8-4-3-5-9-15)14-20-12-16-13-21-17-10-6-7-11-18(17)22-16/h3-11,13,20H,12,14H2,1-2H3
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1.21E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257781
PNG
(2-(3-(3-methoxyphenyl)-3-methylazetidin-1-yl)pyrid...)
Show SMILES COc1cccc(c1)C1(C)CN(C1)c1cc(N)ccn1
Show InChI InChI=1S/C16H19N3O/c1-16(12-4-3-5-14(8-12)20-2)10-19(11-16)15-9-13(17)6-7-18-15/h3-9H,10-11H2,1-2H3,(H2,17,18)
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1.84E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257780
PNG
((S)-1'-(4-aminopyridin-2-yl)-N,N-dimethyl-2,3-dihy...)
Show SMILES CN(C)C(=O)[C@H]1CC2(CCN(CC2)c2cc(N)ccn2)c2ccccc12 |r|
Show InChI InChI=1S/C21H26N4O/c1-24(2)20(26)17-14-21(18-6-4-3-5-16(17)18)8-11-25(12-9-21)19-13-15(22)7-10-23-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H2,22,23)/t17-/m0/s1
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4.71E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257782
PNG
(CHEMBL493515 | N-(1-(4-aminopyridin-2-yl)piperidin...)
Show SMILES COc1ccc(cc1)C(=O)N(C1CCN(CC1)c1cc(N)ccn1)c1cc(C)ccn1
Show InChI InChI=1S/C24H27N5O2/c1-17-7-11-27-23(15-17)29(24(30)18-3-5-21(31-2)6-4-18)20-9-13-28(14-10-20)22-16-19(25)8-12-26-22/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H2,25,26)
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5.03E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197260
PNG
(CHEMBL246026 | N-(2-methyl-2-phenylpropyl)pyrazine...)
Show SMILES CC(C)(CNC(=O)c1cnccn1)c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-15(2,12-6-4-3-5-7-12)11-18-14(19)13-10-16-8-9-17-13/h3-10H,11H2,1-2H3,(H,18,19)
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6.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257784
PNG
(CHEMBL493517 | N-(1-(4-aminopyridin-2-yl)piperidin...)
Show SMILES COc1cccc(c1)C(=O)N(C1CCN(CC1)c1cc(N)ccn1)c1ccccn1
Show InChI InChI=1S/C23H25N5O2/c1-30-20-6-4-5-17(15-20)23(29)28(21-7-2-3-11-25-21)19-9-13-27(14-10-19)22-16-18(24)8-12-26-22/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H2,24,26)
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9.69E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257783
PNG
(CHEMBL493516 | N-(1-(4-aminopyridin-2-yl)piperidin...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H29N5O/c23-18-9-13-25-21(16-18)26-14-10-19(11-15-26)27(20-8-4-5-12-24-20)22(28)17-6-2-1-3-7-17/h4-5,8-9,12-13,16-17,19H,1-3,6-7,10-11,14-15H2,(H2,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257722
PNG
((S)-1'-(4-aminopyridin-2-yl)-N,N-diethyl-3H-spiro[...)
Show SMILES CCN(CC)C(=O)[C@H]1OC2(CCN(CC2)c2cc(N)ccn2)c2ccccc12 |r|
Show InChI InChI=1S/C22H28N4O2/c1-3-25(4-2)21(27)20-17-7-5-6-8-18(17)22(28-20)10-13-26(14-11-22)19-15-16(23)9-12-24-19/h5-9,12,15,20H,3-4,10-11,13-14H2,1-2H3,(H2,23,24)/t20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
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