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Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'antel' and Initial = 's'   
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)
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)
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
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
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)
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)
BDBM50278288
PNG
(2-(2-(4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4...)
Show SMILES OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
Show InChI InChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)
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3n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50040426
PNG
(CHEMBL3360587)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-15(9-11-17)12-14-21-18(24)7-4-13-22-19(25)23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,24)(H2,20,26,27)(H2,22,23,25)
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4.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50278286
PNG
(CHEMBL511266 | N4-(2,3-dihydro-1H-inden-2-yl)-N6-(...)
Show SMILES COCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
Show InChI InChI=1S/C19H21N5O/c1-25-7-6-20-18-10-16-17(11-21-18)22-12-23-19(16)24-15-8-13-4-2-3-5-14(13)9-15/h2-5,10-12,15H,6-9H2,1H3,(H,20,21)(H,22,23,24)
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5n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50040427
PNG
(CHEMBL3360586)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C18H22N4O4S/c19-27(25,26)16-10-8-14(9-11-16)13-21-17(23)7-4-12-20-18(24)22-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H,21,23)(H2,19,25,26)(H2,20,22,24)
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50278407
PNG
(CHEMBL470396 | N-cycloheptyl-6-(2-morpholinoethoxy...)
Show SMILES C(CN1CCOCC1)Oc1cc2c(NC3CCCCCC3)ncnc2cn1
Show InChI InChI=1S/C20H29N5O2/c1-2-4-6-16(5-3-1)24-20-17-13-19(21-14-18(17)22-15-23-20)27-12-9-25-7-10-26-11-8-25/h13-16H,1-12H2,(H,22,23,24)
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6n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50040425
PNG
(CHEMBL3360588)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-16(9-11-17)13-22-18(24)7-4-12-21-19(25)23-14-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H2,20,26,27)(H2,21,23,25)
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6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50040426
PNG
(CHEMBL3360587)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-15(9-11-17)12-14-21-18(24)7-4-13-22-19(25)23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,24)(H2,20,26,27)(H2,22,23,25)
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6.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50040428
PNG
(CHEMBL3360591)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H23N5O6S/c20-31(29,30)17-9-3-14(4-10-17)11-13-21-18(25)2-1-12-22-19(26)23-15-5-7-16(8-6-15)24(27)28/h3-10H,1-2,11-13H2,(H,21,25)(H2,20,29,30)(H2,22,23,26)
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6.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50040429
PNG
(CHEMBL3360590)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C20H26N4O4S/c21-29(27,28)18-10-8-17(9-11-18)15-24-19(25)7-4-13-22-20(26)23-14-12-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H,24,25)(H2,21,27,28)(H2,22,23,26)
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6.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
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)
BDBM50278361
PNG
(CHEMBL471435 | N4-cyclohexyl-N6-(2-morpholinoethyl...)
Show SMILES C(CN1CCOCC1)Nc1cc2c(NC3CCCCC3)ncnc2cn1
Show InChI InChI=1S/C19H28N6O/c1-2-4-15(5-3-1)24-19-16-12-18(21-13-17(16)22-14-23-19)20-6-7-25-8-10-26-11-9-25/h12-15H,1-11H2,(H,20,21)(H,22,23,24)
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10n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 6 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50278289
PNG
(CHEMBL469383 | N4-cyclohexyl-N6-(2-methoxyethyl)py...)
Show SMILES COCCNc1cc2c(NC3CCCCC3)ncnc2cn1
Show InChI InChI=1S/C16H23N5O/c1-22-8-7-17-15-9-13-14(10-18-15)19-11-20-16(13)21-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,17,18)(H,19,20,21)
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11n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
BDBM50278112
PNG
(CHEMBL472490 | N4-(2,3-dihydro-1H-inden-2-yl)-N6-m...)
Show SMILES CNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
Show InChI InChI=1S/C17H17N5/c1-18-16-8-14-15(9-19-16)20-10-21-17(14)22-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,18,19)(H,20,21,22)
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14n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
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
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
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 13 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50040428
PNG
(CHEMBL3360591)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H23N5O6S/c20-31(29,30)17-9-3-14(4-10-17)11-13-21-18(25)2-1-12-22-19(26)23-15-5-7-16(8-6-15)24(27)28/h3-10H,1-2,11-13H2,(H,21,25)(H2,20,29,30)(H2,22,23,26)
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50278358
PNG
(1-(2-(4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-...)
Show SMILES O=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1
Show InChI InChI=1S/C19H25N5O2/c25-18-7-4-8-24(18)9-10-26-17-11-15-16(12-20-17)21-13-22-19(15)23-14-5-2-1-3-6-14/h11-14H,1-10H2,(H,21,22,23)
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20n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50278232
PNG
(2-(4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]...)
Show SMILES OCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
Show InChI InChI=1S/C18H19N5O/c24-6-5-19-17-9-15-16(10-20-17)21-11-22-18(15)23-14-7-12-3-1-2-4-13(12)8-14/h1-4,9-11,14,24H,5-8H2,(H,19,20)(H,21,22,23)
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21n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50040429
PNG
(CHEMBL3360590)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C20H26N4O4S/c21-29(27,28)18-10-8-17(9-11-18)15-24-19(25)7-4-13-22-20(26)23-14-12-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H,24,25)(H2,21,27,28)(H2,22,23,26)
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
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
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50040426
PNG
(CHEMBL3360587)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-15(9-11-17)12-14-21-18(24)7-4-13-22-19(25)23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,24)(H2,20,26,27)(H2,22,23,25)
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50278114
PNG
(CHEMBL513012 | N-cyclohexylquinazolin-4-amine)
Show SMILES C1CCC(CC1)Nc1ncnc2ccccc12
Show InChI InChI=1S/C14H17N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h4-5,8-11H,1-3,6-7H2,(H,15,16,17)
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27n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
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)
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
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50040430
PNG
(CHEMBL3360589)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C20H26N4O4S/c21-29(27,28)18-10-8-16(9-11-18)12-14-22-19(25)7-4-13-23-20(26)24-15-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2,(H,22,25)(H2,21,27,28)(H2,23,24,26)
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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
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
Metabotropic glutamate receptor


(RAT)
BDBM50278231
PNG
(CHEMBL513018 | N4,N6-bis(2,3-dihydro-1H-inden-2-yl...)
Show SMILES C1C(Cc2ccccc12)Nc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
Show InChI InChI=1S/C25H23N5/c1-2-6-17-10-20(9-16(17)5-1)29-24-13-22-23(14-26-24)27-15-28-25(22)30-21-11-18-7-3-4-8-19(18)12-21/h1-8,13-15,20-21H,9-12H2,(H,26,29)(H,27,28,30)
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31n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50040426
PNG
(CHEMBL3360587)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-15(9-11-17)12-14-21-18(24)7-4-13-22-19(25)23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,24)(H2,20,26,27)(H2,22,23,25)
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50278357
PNG
(3-(4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-ylo...)
Show SMILES OCCCOc1cc2c(NC3CCCCC3)ncnc2cn1
Show InChI InChI=1S/C16H22N4O2/c21-7-4-8-22-15-9-13-14(10-17-15)18-11-19-16(13)20-12-5-2-1-3-6-12/h9-12,21H,1-8H2,(H,18,19,20)
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33n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50278153
PNG
(CHEMBL471242 | N-(2,3-dihydro-1H-inden-2-yl)quinaz...)
Show SMILES C1C(Cc2ccccc12)Nc1ncnc2ccccc12
Show InChI InChI=1S/C17H15N3/c1-2-6-13-10-14(9-12(13)5-1)20-17-15-7-3-4-8-16(15)18-11-19-17/h1-8,11,14H,9-10H2,(H,18,19,20)
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34n/an/an/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
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
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50040427
PNG
(CHEMBL3360586)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C18H22N4O4S/c19-27(25,26)16-10-8-14(9-11-16)13-21-17(23)7-4-12-20-18(24)22-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H,21,23)(H2,19,25,26)(H2,20,22,24)
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
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)
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)
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50040430
PNG
(CHEMBL3360589)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C20H26N4O4S/c21-29(27,28)18-10-8-16(9-11-18)12-14-22-19(25)7-4-13-23-20(26)24-15-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-15H2,(H,22,25)(H2,21,27,28)(H2,23,24,26)
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41n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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41n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair
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