Found 58 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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UniChem
| Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542313
(CHEMBL4637618)Show SMILES CC[C@@](O)(c1cnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)c1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F4N4O2/c1-2-23(34,24(26,27)28)16-11-30-32(13-16)12-14-3-8-18-19(15-4-6-17(25)7-5-15)10-21(22(29)33)31-20(18)9-14/h3-11,13,34H,2,12H2,1H3,(H2,29,33)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542315
(CHEMBL4642428)Show SMILES CC[C@@](O)(c1cn(nn1)C(C)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F4N5O2/c1-3-23(35,24(26,27)28)21-12-33(32-31-21)13(2)15-6-9-17-18(14-4-7-16(25)8-5-14)11-20(22(29)34)30-19(17)10-15/h4-13,35H,3H2,1-2H3,(H2,29,34)/t13?,23-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542315
(CHEMBL4642428)Show SMILES CC[C@@](O)(c1cn(nn1)C(C)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F4N5O2/c1-3-23(35,24(26,27)28)21-12-33(32-31-21)13(2)15-6-9-17-18(14-4-7-16(25)8-5-14)11-20(22(29)34)30-19(17)10-15/h4-13,35H,3H2,1-2H3,(H2,29,34)/t13?,23-/m1/s1 | PDB
UniProtKB/SwissProt
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542305
(CHEMBL4640203)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C23H19F4N5O2/c1-2-22(34,23(25,26)27)20-12-32(31-30-20)11-13-3-8-16-17(14-4-6-15(24)7-5-14)10-19(21(28)33)29-18(16)9-13/h3-10,12,34H,2,11H2,1H3,(H2,28,33)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212926
(US9278960, 3-45 | US9663506, Example 3-45)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F4N4O2/c1-2-23(34,24(26,27)28)21-12-32(13-30-21)11-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(22(29)33)31-19(17)9-14/h3-10,12-13,34H,2,11H2,1H3,(H2,29,33)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542314
(CHEMBL4642338)Show SMILES CC[C@@](O)(c1nnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)n1)C(F)(F)F |r| Show InChI InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)20-29-31-32(30-20)11-12-3-8-15-16(13-4-6-14(23)7-5-13)10-18(19(27)33)28-17(15)9-12/h3-10,34H,2,11H2,1H3,(H2,27,33)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542299
(CHEMBL4644424)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(Cl)cc2F)nn1)C(F)(F)F |r| Show InChI InChI=1S/C23H18ClF4N5O2/c1-2-22(35,23(26,27)28)20-11-33(32-31-20)10-12-3-5-15-16(14-6-4-13(24)8-17(14)25)9-19(21(29)34)30-18(15)7-12/h3-9,11,35H,2,10H2,1H3,(H2,29,34)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by GTPgammaS binding assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212874
(US9278960, 2-21 | US9663506, Example 2-21)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1 Show InChI InChI=1S/C22H18FN3O3/c23-15-7-5-14(6-8-15)17-11-19(22(24)29)25-18-10-13(4-9-16(17)18)12-26-20(27)2-1-3-21(26)28/h4-11H,1-3,12H2,(H2,24,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542306
(CHEMBL4647980)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(Cl)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C23H19ClF3N5O2/c1-2-22(34,23(25,26)27)20-12-32(31-30-20)11-13-3-8-16-17(14-4-6-15(24)7-5-14)10-19(21(28)33)29-18(16)9-13/h3-10,12,34H,2,11H2,1H3,(H2,28,33)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542300
(CHEMBL4640529)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccccc2F)nn1)C(F)(F)F |r| Show InChI InChI=1S/C23H19F4N5O2/c1-2-22(34,23(25,26)27)20-12-32(31-30-20)11-13-7-8-15-16(14-5-3-4-6-17(14)24)10-19(21(28)33)29-18(15)9-13/h3-10,12,34H,2,11H2,1H3,(H2,28,33)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212897
(US9278960, 3-16 | US9663506, Example 3-16)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cn2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)19-11-32(31-30-19)10-12-3-5-14-15(16-6-4-13(23)9-28-16)8-18(20(27)33)29-17(14)7-12/h3-9,11,34H,2,10H2,1H3,(H2,27,33)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGluR2 by GTPgammaS binding assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212890
(US9278960, 2-37 | US9663506, Example 2-37)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCC3=O)cc2n1 Show InChI InChI=1S/C22H20FN3O2/c23-16-7-5-15(6-8-16)18-12-20(22(24)28)25-19-11-14(4-9-17(18)19)13-26-10-2-1-3-21(26)27/h4-9,11-12H,1-3,10,13H2,(H2,24,28) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212941
(US9278960, 4-25 | US9663506, Example 4-25)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1 Show InChI InChI=1S/C21H18F3N3O/c22-15-4-2-14(3-5-15)17-10-19(20(25)28)26-18-9-13(1-6-16(17)18)11-27-8-7-21(23,24)12-27/h1-6,9-10H,7-8,11-12H2,(H2,25,28) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542301
(CHEMBL4638570)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C23H20F3N5O2/c1-2-22(33,23(24,25)26)20-13-31(30-29-20)12-14-8-9-16-17(15-6-4-3-5-7-15)11-19(21(27)32)28-18(16)10-14/h3-11,13,33H,2,12H2,1H3,(H2,27,32)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212933
(US9278960, 4-1 | US9663506, Example 4-1)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOCC3)cc2n1 Show InChI InChI=1S/C21H20FN3O2/c22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-27-10-8-25/h1-6,11-12H,7-10,13H2,(H2,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542316
(CHEMBL4635528)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3=O)cc2n1 Show InChI InChI=1S/C21H18FN3O2/c22-15-6-4-14(5-7-15)17-11-19(21(23)27)24-18-10-13(3-8-16(17)18)12-25-9-1-2-20(25)26/h3-8,10-11H,1-2,9,12H2,(H2,23,27) | PDB
UniProtKB/SwissProt
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UniChem
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542308
(CHEMBL4643527)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cccc(F)c2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C23H19F4N5O2/c1-2-22(34,23(25,26)27)20-12-32(31-30-20)11-13-6-7-16-17(14-4-3-5-15(24)9-14)10-19(21(28)33)29-18(16)8-13/h3-10,12,34H,2,11H2,1H3,(H2,28,33)/t22-/m1/s1 | PDB
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UniChem
| Article
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| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212853
(US9278960, 1-24 | US9663506, Example 1-24)Show InChI InChI=1S/C16H11FN2O/c17-11-7-5-10(6-8-11)13-9-15(16(18)20)19-14-4-2-1-3-12(13)14/h1-9H,(H2,18,20) | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542311
(CHEMBL4634754)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(C)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F4N4O2/c1-3-23(34,24(26,27)28)22-13-32(31-30-22)12-15-4-9-18-19(16-5-7-17(25)8-6-16)11-20(14(2)33)29-21(18)10-15/h4-11,13,34H,3,12H2,1-2H3/t23-/m1/s1 | PDB
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| n/a | n/a | 238 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542320
(CHEMBL4636186)Show InChI InChI=1S/C15H11FN4O/c16-12-9-7-11(8-10-12)13-5-3-1-2-4-6-14-17-18-15(21)20(14)19-13/h1-10H,(H,18,21)/b2-1-,5-3+,6-4+,19-13+ | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542318
(CHEMBL4634600)Show InChI InChI=1S/C18H12FNO/c19-12-7-5-11(6-8-12)15-9-16-17(10-20-18(16)21)14-4-2-1-3-13(14)15/h1-9H,10H2,(H,20,21) | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542302
(CHEMBL4642255)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C#N)-c2ccc(F)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C23H17F4N5O/c1-2-22(33,23(25,26)27)21-13-32(31-30-21)12-14-3-8-18-19(15-4-6-16(24)7-5-15)10-17(11-28)29-20(18)9-14/h3-10,13,33H,2,12H2,1H3/t22-/m1/s1 | PDB
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UniChem
| Article
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| n/a | n/a | 409 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542321
(CHEMBL4634351)Show InChI InChI=1S/C15H9FN4O/c16-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)20-14(17-13)18-19-15(20)21/h1-8H,(H,19,21) | PDB
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| Article
PubMed
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542307
(CHEMBL4646222)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(cc2)C(C)C)nn1)C(F)(F)F |r| Show InChI InChI=1S/C26H26F3N5O2/c1-4-25(36,26(27,28)29)23-14-34(33-32-23)13-16-5-10-19-20(12-22(24(30)35)31-21(19)11-16)18-8-6-17(7-9-18)15(2)3/h5-12,14-15,36H,4,13H2,1-3H3,(H2,30,35)/t25-/m1/s1 | PDB
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| Article
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| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM212926
(US9278960, 3-45 | US9663506, Example 3-45)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F4N4O2/c1-2-23(34,24(26,27)28)21-12-32(13-30-21)11-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(22(29)33)31-19(17)9-14/h3-10,12-13,34H,2,11H2,1H3,(H2,29,33)/t23-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50542305
(CHEMBL4640203)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C23H19F4N5O2/c1-2-22(34,23(25,26)27)20-12-32(31-30-20)11-13-3-8-16-17(14-4-6-15(24)7-5-14)10-19(21(28)33)29-18(16)9-13/h3-10,12,34H,2,11H2,1H3,(H2,28,33)/t22-/m1/s1 | PDB
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PubMed
| n/a | n/a | >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 6
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | Reactome pathway
KEGG
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PubMed
| n/a | n/a | 9.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at mGluR6 (unknown origin) by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at mGluR1 (unknown origin) by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542317
(CHEMBL4638009)Show InChI InChI=1S/C15H10FN3O/c16-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)18-15(19-13)14(17)20/h1-8H,(H2,17,20) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM212874
(US9278960, 2-21 | US9663506, Example 2-21)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1 Show InChI InChI=1S/C22H18FN3O3/c23-15-7-5-14(6-8-15)17-11-19(22(24)29)25-18-10-13(4-9-16(17)18)12-26-20(27)2-1-3-21(26)28/h4-11H,1-3,12H2,(H2,24,29) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM212941
(US9278960, 4-25 | US9663506, Example 4-25)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1 Show InChI InChI=1S/C21H18F3N3O/c22-15-4-2-14(3-5-15)17-10-19(20(25)28)26-18-9-13(1-6-16(17)18)11-27-8-7-21(23,24)12-27/h1-6,9-10H,7-8,11-12H2,(H2,25,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50542315
(CHEMBL4642428)Show SMILES CC[C@@](O)(c1cn(nn1)C(C)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F4N5O2/c1-3-23(35,24(26,27)28)21-12-33(32-31-21)13(2)15-6-9-17-18(14-4-7-16(25)8-5-14)11-20(22(29)34)30-19(17)10-15/h4-13,35H,3H2,1-2H3,(H2,29,34)/t13?,23-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542304
(CHEMBL4638395)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(=O)N(C)C)-c2ccc(F)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F4N5O2/c1-4-24(36,25(27,28)29)22-14-34(32-31-22)13-15-5-10-18-19(16-6-8-17(26)9-7-16)12-21(23(35)33(2)3)30-20(18)11-15/h5-12,14,36H,4,13H2,1-3H3/t24-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50542316
(CHEMBL4635528)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3=O)cc2n1 Show InChI InChI=1S/C21H18FN3O2/c22-15-6-4-14(5-7-15)17-11-19(21(23)27)24-18-10-13(3-8-16(17)18)12-25-9-1-2-20(25)26/h3-8,10-11H,1-2,9,12H2,(H2,23,27) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 8
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at mGluR8 (unknown origin) by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 4
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at mGluR4 (unknown origin) by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542298
(CHEMBL4649821)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(Cl)cc(nc3c2)C(N)=O)nn1)C(F)(F)F |r| Show InChI InChI=1S/C17H15ClF3N5O2/c1-2-16(28,17(19,20)21)14-8-26(25-24-14)7-9-3-4-10-11(18)6-13(15(22)27)23-12(10)5-9/h3-6,8,28H,2,7H2,1H3,(H2,22,27)/t16-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542310
(CHEMBL4640683)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)-c2cccnc2)-c2ccc(F)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C27H21F4N5O/c1-2-26(37,27(29,30)31)25-16-36(35-34-25)15-17-5-10-21-22(18-6-8-20(28)9-7-18)13-23(33-24(21)12-17)19-4-3-11-32-14-19/h3-14,16,37H,2,15H2,1H3/t26-/m1/s1 | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542312
(CHEMBL4632721)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(=O)NC)-c2ccc(F)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F4N5O2/c1-3-23(35,24(26,27)28)21-13-33(32-31-21)12-14-4-9-17-18(15-5-7-16(25)8-6-15)11-20(22(34)29-2)30-19(17)10-14/h4-11,13,35H,3,12H2,1-2H3,(H,29,34)/t23-/m1/s1 | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM212890
(US9278960, 2-37 | US9663506, Example 2-37)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCC3=O)cc2n1 Show InChI InChI=1S/C22H20FN3O2/c23-16-7-5-15(6-8-16)18-12-20(22(24)28)25-19-11-14(4-9-17(18)19)13-26-10-2-1-3-21(26)27/h4-9,11-12H,1-3,10,13H2,(H2,24,28) | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50542315
(CHEMBL4642428)Show SMILES CC[C@@](O)(c1cn(nn1)C(C)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F4N5O2/c1-3-23(35,24(26,27)28)21-12-33(32-31-21)13(2)15-6-9-17-18(14-4-7-16(25)8-5-14)11-20(22(29)34)30-19(17)10-15/h4-13,35H,3H2,1-2H3,(H2,29,34)/t13?,23-/m1/s1 | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at mGluR3 (unknown origin) by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542309
(CHEMBL4646658)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(ccnc3c2)-c2ccc(F)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C22H18F4N4O/c1-2-21(31,22(24,25)26)20-13-30(29-28-20)12-14-3-8-18-17(9-10-27-19(18)11-14)15-4-6-16(23)7-5-15/h3-11,13,31H,2,12H2,1H3/t21-/m1/s1 | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542303
(CHEMBL4645156)Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)S(C)(=O)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r| Show InChI InChI=1S/C23H20F4N4O3S/c1-3-22(32,23(25,26)27)20-13-31(30-29-20)12-14-4-9-17-18(15-5-7-16(24)8-6-15)11-21(35(2,33)34)28-19(17)10-14/h4-11,13,32H,3,12H2,1-2H3/t22-/m1/s1 | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM212853
(US9278960, 1-24 | US9663506, Example 1-24)Show InChI InChI=1S/C16H11FN2O/c17-11-7-5-10(6-8-11)13-9-15(16(18)20)19-14-4-2-1-3-12(13)14/h1-9H,(H2,18,20) | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50542313
(CHEMBL4637618)Show SMILES CC[C@@](O)(c1cnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)c1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F4N4O2/c1-2-23(34,24(26,27)28)16-11-30-32(13-16)12-14-3-8-18-19(15-4-6-17(25)7-5-15)10-21(22(29)33)31-20(18)9-14/h3-11,13,34H,2,12H2,1H3,(H2,29,33)/t23-/m1/s1 | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542322
(CHEMBL4642363)Show InChI InChI=1S/C18H11FN2O/c19-12-7-5-11(6-8-12)15-9-16-17(20-10-21-18(16)22)14-4-2-1-3-13(14)15/h1-10H,(H,20,21,22) | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50542319
(CHEMBL4635360)Show InChI InChI=1S/C17H11FN2O/c18-11-7-5-10(6-8-11)15-13-4-2-1-3-12(13)14-9-19-17(21)16(14)20-15/h1-8H,9H2,(H,19,21) | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR2 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50542314
(CHEMBL4642338)Show SMILES CC[C@@](O)(c1nnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)n1)C(F)(F)F |r| Show InChI InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)20-29-31-32(30-20)11-12-3-8-15-16(13-4-6-14(23)7-5-13)10-18(19(27)33)28-17(15)9-12/h3-10,34H,2,11H2,1H3,(H2,27,33)/t21-/m1/s1 | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM212933
(US9278960, 4-1 | US9663506, Example 4-1)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOCC3)cc2n1 Show InChI InChI=1S/C21H20FN3O2/c22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-27-10-8-25/h1-6,11-12H,7-10,13H2,(H2,23,26) | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 7
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at mGluR7 (unknown origin) by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human mGluR3 by FLIPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM212860
(US9278960, 2-7 | US9663506, Example 2-7)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1 Show InChI InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28) | PDB
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| n/a | n/a | n/a | n/a | 1.10E+6 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Modulating activity at PXR (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127066
BindingDB Entry DOI: 10.7270/Q2G44TTJ |
More data for this
Ligand-Target Pair | |
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