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Compile Data Set for Download or QSAR

Found 584 hits with Last Name = 'woltering' and Initial = 't'   
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 2


(Homo sapiens (Human))
BDBM85212
PNG
(CAS_5311260 | LY341495 | NSC_5311260)
Show SMILES NC(Cn1cnc2c1[nH]c(=O)[nH]c2=O)(C1CC1C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13N5O6/c13-12(10(21)22,5-1-4(5)9(19)20)2-17-3-14-6-7(17)15-11(23)16-8(6)18/h3-5H,1-2,13H2,(H,19,20)(H,21,22)(H2,15,16,18,23)
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0.0780n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50034503
PNG
((1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-...)
Show SMILES N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
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0.368n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50004899
PNG
((1R,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanec...)
Show SMILES N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3+,4-/m0/s1
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0.378n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50004863
PNG
((+/-)-trans-ACPD | (1S,3S)-1-Amino-cyclopentane-1,...)
Show SMILES N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1
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9.33n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM85212
PNG
(CAS_5311260 | LY341495 | NSC_5311260)
Show SMILES NC(Cn1cnc2c1[nH]c(=O)[nH]c2=O)(C1CC1C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13N5O6/c13-12(10(21)22,5-1-4(5)9(19)20)2-17-3-14-6-7(17)15-11(23)16-8(6)18/h3-5H,1-2,13H2,(H,19,20)(H,21,22)(H2,15,16,18,23)
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10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50034503
PNG
((1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-...)
Show SMILES N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
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60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50062500
PNG
((S)-2-((R)-1-Amino-1-carboxy-ethyl)-cyclopropaneca...)
Show SMILES C[C@@](N)(C1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4?,7+/m0/s1
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69n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50004899
PNG
((1R,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanec...)
Show SMILES N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3+,4-/m0/s1
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70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50013055
PNG
(2-aminopentanedioateglutamate | L-Glutamate | glut...)
Show SMILES NC(CCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2
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88n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(C(O)=O)c1cc(=O)[nH]o1
Show InChI InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)
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89n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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178n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089910
PNG
(2-Amino-2-(4-phosphono-phenyl)-propionic acid | 2-...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
Show InChI InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)
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260n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM85077
PNG
(3-Phosphono-D,L-2-aminopropionic acid, 7 | CAS_230...)
Show SMILES NC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
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263n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50030627
PNG
((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
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334n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM85379
PNG
(CAS_5311079 | EGLU | NSC_5311079)
Show SMILES CCC(N)(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C7H13NO4/c1-2-7(8,6(11)12)4-3-5(9)10/h2-4,8H2,1H3,(H,9,10)(H,11,12)
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376n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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680n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Neurochem 71: 2558-64 (1998)


Article DOI: 10.1046/j.1471-4159.1998.71062558.x
BindingDB Entry DOI: 10.7270/Q25D8QCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078235
PNG
(2-(2,4-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1ccc(Cl)cc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-15-22(24(31)33-12-11-29(2)3)23(18-7-5-6-8-20(18)32-4)30-14-21(34-25(30)28-15)17-10-9-16(26)13-19(17)27/h5-10,13-14,23H,11-12H2,1-4H3
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078228
PNG
(2-(2,6-Dichloro-phenyl)-7-ethyl-5-(2-methoxy-pheny...)
Show SMILES CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCCN(C)C |c:6,10,t:2|
Show InChI InChI=1S/C26H27Cl2N3O3S/c1-5-19-23(25(32)34-14-13-30(2)3)24(16-9-6-7-12-20(16)33-4)31-15-21(35-26(31)29-19)22-17(27)10-8-11-18(22)28/h6-12,15,24H,5,13-14H2,1-4H3
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078226
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-15-21(24(31)33-13-12-29(2)3)23(16-8-5-6-11-19(16)32-4)30-14-20(34-25(30)28-15)22-17(26)9-7-10-18(22)27/h5-11,14,23H,12-13H2,1-4H3
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1.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078237
PNG
(5-(2-Chloro-phenyl)-2-(2,6-dichloro-phenyl)-7-meth...)
Show SMILES CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1Cl)c1c(Cl)cccc1Cl |c:8,14,t:11|
Show InChI InChI=1S/C24H22Cl3N3O2S/c1-14-20(23(31)32-12-11-29(2)3)22(15-7-4-5-8-16(15)25)30-13-19(33-24(30)28-14)21-17(26)9-6-10-18(21)27/h4-10,13,22H,11-12H2,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50004863
PNG
((+/-)-trans-ACPD | (1S,3S)-1-Amino-cyclopentane-1,...)
Show SMILES N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078231
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-isopropoxy-phenyl)-7-...)
Show SMILES CC(C)Oc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:13,17,20|
Show InChI InChI=1S/C27H29Cl2N3O3S/c1-16(2)35-21-12-7-6-9-18(21)25-23(26(33)34-14-13-31(4)5)17(3)30-27-32(25)15-22(36-27)24-19(28)10-8-11-20(24)29/h6-12,15-16,25H,13-14H2,1-5H3
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2.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078229
PNG
(2-(2,6-Dichloro-phenyl)-5-(3-methoxy-phenyl)-7-met...)
Show SMILES COc1cccc(c1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-15-21(24(31)33-12-11-29(2)3)23(16-7-5-8-17(13-16)32-4)30-14-20(34-25(30)28-15)22-18(26)9-6-10-19(22)27/h5-10,13-14,23H,11-12H2,1-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078236
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C26H27Cl2N3O3S/c1-16-22(25(32)34-14-8-13-30(2)3)24(17-9-5-6-12-20(17)33-4)31-15-21(35-26(31)29-16)23-18(27)10-7-11-19(23)28/h5-7,9-12,15,24H,8,13-14H2,1-4H3
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2.40E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078230
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-ethoxy-phenyl)-7-meth...)
Show SMILES CCOc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:12,16,19|
Show InChI InChI=1S/C26H27Cl2N3O3S/c1-5-33-20-12-7-6-9-17(20)24-22(25(32)34-14-13-30(3)4)16(2)29-26-31(24)15-21(35-26)23-18(27)10-8-11-19(23)28/h6-12,15,24H,5,13-14H2,1-4H3
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3.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078239
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-fluoro-phenyl)-7-meth...)
Show SMILES CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1F)c1c(Cl)cccc1Cl |c:8,14,t:11|
Show InChI InChI=1S/C24H22Cl2FN3O2S/c1-14-20(23(31)32-12-11-29(2)3)22(15-7-4-5-10-18(15)27)30-13-19(33-24(30)28-14)21-16(25)8-6-9-17(21)26/h4-10,13,22H,11-12H2,1-3H3
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3.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078232
PNG
(2-(2,6-Dichloro-phenyl)-7-isopropyl-5-(2-methoxy-p...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C(C)C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,20|
Show InChI InChI=1S/C27H29Cl2N3O3S/c1-16(2)24-23(26(33)35-14-13-31(3)4)25(17-9-6-7-12-20(17)34-5)32-15-21(36-27(32)30-24)22-18(28)10-8-11-19(22)29/h6-12,15-16,25H,13-14H2,1-5H3
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4.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078234
PNG
(2-(4-Chloro-phenyl)-5-(2-methoxy-phenyl)-7-methyl-...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1ccc(Cl)cc1 |c:11,15,18|
Show InChI InChI=1S/C25H26ClN3O3S/c1-16-22(24(30)32-14-13-28(2)3)23(19-7-5-6-8-20(19)31-4)29-15-21(33-25(29)27-16)17-9-11-18(26)12-10-17/h5-12,15,23H,13-14H2,1-4H3
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4.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078238
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1OC)c1c(Cl)cccc1Cl |c:5,11,t:8|
Show InChI InChI=1S/C23H20Cl2N2O3S/c1-4-30-22(28)19-13(2)26-23-27(21(19)14-8-5-6-11-17(14)29-3)12-18(31-23)20-15(24)9-7-10-16(20)25/h5-12,21H,4H2,1-3H3
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4.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078227
PNG
(1-[2-(2,6-dichloro-phenyl)-7-methyl-5H-thiazolo[3,...)
Show SMILES COc1ccc(cc1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-15-21(24(31)33-13-12-29(2)3)23(16-8-10-17(32-4)11-9-16)30-14-20(34-25(30)28-15)22-18(26)6-5-7-19(22)27/h5-11,14,23H,12-13H2,1-4H3
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7.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078225
PNG
(2-(2,6-Dichloro-phenyl)-7-methyl-5-o-tolyl-5H-thia...)
Show SMILES CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1C)c1c(Cl)cccc1Cl |c:8,14,t:11|
Show InChI InChI=1S/C25H25Cl2N3O2S/c1-15-8-5-6-9-17(15)23-21(24(31)32-13-12-29(3)4)16(2)28-25-30(23)14-20(33-25)22-18(26)10-7-11-19(22)27/h5-11,14,23H,12-13H2,1-4H3
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8.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50062500
PNG
((S)-2-((R)-1-Amino-1-carboxy-ethyl)-cyclopropaneca...)
Show SMILES C[C@@](N)(C1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4?,7+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50030627
PNG
((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
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F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM82355
PNG
(Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid(Iboten...)
Show SMILES NC(C(O)=O)c1cc(=O)[nH]o1
Show InChI InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)
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F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078233
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)NCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15-21(24(32)28-12-13-30(2)3)23(16-8-5-6-11-19(16)33-4)31-14-20(34-25(31)29-15)22-17(26)9-7-10-18(22)27/h5-11,14,23H,12-13H2,1-4H3,(H,28,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM85077
PNG
(3-Phosphono-D,L-2-aminopropionic acid, 7 | CAS_230...)
Show SMILES NC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
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F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 53: 228-33 (1998)


BindingDB Entry DOI: 10.7270/Q2MP51T5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078224
PNG
(7-Benzoyl-2-(2,6-dichloro-phenyl)-5-(2-methoxy-phe...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C(=O)c2ccccc2)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,26|
Show InChI InChI=1S/C31H27Cl2N3O4S/c1-35(2)16-17-40-30(38)26-27(29(37)19-10-5-4-6-11-19)34-31-36(28(26)20-12-7-8-15-23(20)39-3)18-24(41-31)25-21(32)13-9-14-22(25)33/h4-15,18,28H,16-17H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM209917
PNG
(US9273042, 6 | US9556135, 23)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:4|
Show InChI InChI=1/C20H20FN5O3S/c1-19(2)18(23)26-20(3,11-30(19,28)29)14-8-13(5-6-15(14)21)25-17(27)16-7-4-12(9-22)10-24-16/h4-8,10H,11H2,1-3H3,(H2,23,26)(H,25,27)/t20-/s2
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n/an/a 0.000200n/an/an/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50012660
PNG
(CHEMBL3261078 | US9273042, 5 | US9556135, 19)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:4|
Show InChI InChI=1S/C19H20ClFN4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1
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n/an/a 0.000900n/an/an/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM209918
PNG
(US9273042, 7 | US9556135, 17)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
Show InChI InChI=1/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)12-7-11(5-6-13(12)20)24-16(26)14-8-23-15(29-4)9-22-14/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/s2
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n/an/a 0.000900n/an/an/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM209920
PNG
(US9273042, 9)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:13|
Show InChI InChI=1/C22H22FN5O3S/c1-21(13-32(30,31)22(20(25)28-21)8-2-3-9-22)16-10-15(5-6-17(16)23)27-19(29)18-7-4-14(11-24)12-26-18/h4-7,10,12H,2-3,8-9,13H2,1H3,(H2,25,28)(H,27,29)/t21-/s2
PDB
MMDB

KEGG

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UniChem
US Patent
n/an/a 0.00100n/an/an/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM209919
PNG
(US9273042, 8)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:4|
Show InChI InChI=1/C19H20F3N5O3S/c1-18(2)17(23)27-19(3,9-31(18,29)30)11-6-10(4-5-12(11)20)26-16(28)14-8-24-13(7-25-14)15(21)22/h4-8,15H,9H2,1-3H3,(H2,23,27)(H,26,28)/t19-/s2
PDB
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KEGG

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US Patent
n/an/a 0.00180n/an/an/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM209916
PNG
(US9273042, 4)
Show SMILES C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:8|
Show InChI InChI=1/C18H17F3N4O4S/c1-18(9-30(27,28)8-15(22)25-18)12-6-10(2-4-13(12)19)24-16(26)14-5-3-11(7-23-14)29-17(20)21/h2-7,17H,8-9H2,1H3,(H2,22,25)(H,24,26)/t18-/s2
PDB
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KEGG

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US Patent
n/an/a 0.00570n/an/an/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM209915
PNG
(US9273042, 3 | US9556135, 29)
Show SMILES C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:8|
Show InChI InChI=1/C17H16ClFN4O3S/c1-17(9-27(25,26)8-15(20)23-17)12-6-11(3-4-13(12)19)22-16(24)14-5-2-10(18)7-21-14/h2-7H,8-9H2,1H3,(H2,20,23)(H,22,24)/t17-/s2
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KEGG

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US Patent
n/an/a 0.00610n/an/an/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM209914
PNG
(US9273042, 2)
Show SMILES C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:8|
Show InChI InChI=1/C18H16FN5O3S/c1-18(10-28(26,27)9-16(21)24-18)13-6-12(3-4-14(13)19)23-17(25)15-5-2-11(7-20)8-22-15/h2-6,8H,9-10H2,1H3,(H2,21,24)(H,23,25)/t18-/s2
PDB
MMDB

KEGG

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US Patent
n/an/a 0.00820n/an/an/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM209913
PNG
(US9273042, 1)
Show SMILES C[C@]1(CSCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
Show InChI InChI=1/C18H16FN5OS/c1-18(10-26-9-16(21)24-18)13-6-12(3-4-14(13)19)23-17(25)15-5-2-11(7-20)8-22-15/h2-6,8H,9-10H2,1H3,(H2,21,24)(H,23,25)/t18-/s2
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US Patent
n/an/a 0.0110n/an/an/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM312923
PNG
(5-But-2-ynyloxy-pyrazine-2-carboxylic acid [3-((3R...)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 |r,c:36|
PDB
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KEGG

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9605006 (2017)


BindingDB Entry DOI: 10.7270/Q2PG1TS8
More data for this
Ligand-Target Pair
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