Found 2672 hits with Last Name = 'cho' and Initial = 'hp' 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 |
|---|
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240552
(CHEMBL195)Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1 | PDB
Reactome pathway
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PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human recombinant muscarinic M4 receptor expressed in CHO cell membranes |
J Med Chem 34: 1879-84 (1991)
Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | Reactome pathway
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UniChem
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | Reactome pathway
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PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | Reactome pathway
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Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human muscarinic acetylcholine receptor subtype 5 expressed in CHO cell membranes by scintillation counting method |
J Med Chem 57: 7804-10 (2014)
Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240552
(CHEMBL195)Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1 | PDB
Reactome pathway
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from recombinant human M4 receptor expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50268390
(CHEMBL4071900)Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1 Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
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| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human recombinant muscarinic M4 receptor expressed in CHO cell membranes |
J Med Chem 34: 1879-84 (1991)
Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240548
(CHEMBL4059829)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from recombinant human M4 receptor expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(RAT) | BDBM50605085
(CHEMBL5204021)Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r| | Reactome pathway
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50263887
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30) | Reactome pathway
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50424114
(CHEMBL2315675)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31) | Reactome pathway
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| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50424114
(CHEMBL2315675)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31) | Reactome pathway
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| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50426242
(CHEMBL2312346)Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3 | Reactome pathway
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| 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50534550
(CHEMBL4542697)Show InChI InChI=1S/C13H21N3O3S2/c1-10-12(11(2)15(3)14-10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h4-9H2,1-3H3 | Reactome pathway
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| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor |
Bioorg Med Chem Lett 26: 4487-4491 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.071
BindingDB Entry DOI: 10.7270/Q2MG7T0M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50426242
(CHEMBL2312346)Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3 | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| 2.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50426242
(CHEMBL2312346)Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50426242
(CHEMBL2312346)Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50426242
(CHEMBL2312346)Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM36423
(4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imi...)Show SMILES Cc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C22H26N4O2/c1-16-6-8-17(9-7-16)21(27)23-12-15-25-13-10-18(11-14-25)26-20-5-3-2-4-19(20)24-22(26)28/h2-9,18H,10-15H2,1H3,(H,23,27)(H,24,28) | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | 37 |
Vanderbilt University
| Assay Description
Phopholipase D1(PLD)enzymatic inhibition assay using PLD1.d311 |
Nat Chem Biol 5: 108-17 (2009)
Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50605085
(CHEMBL5204021)Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r| | Reactome pathway
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM123744
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31) | PDB
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| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | 37 |
Vanderbilt University
| Assay Description
PLD in vitro enzymatic assay using phospholipase D1(PLD1). |
Nat Chem Biol 5: 108-17 (2009)
Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50206160
(CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...)Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29) | PDB
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| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | 37 |
Vanderbilt University
| Assay Description
Phopholipase D1(PLD)enzymatic inhibition assay using PLD1.d311 |
Nat Chem Biol 5: 108-17 (2009)
Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132797
(CHEMBL3634445)Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C20H13FN2O4/c1-11-8-9-27-17(11)18(24)22-16-7-6-12(10-15(16)21)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132795
(CHEMBL3634447)Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1C)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H16N2O4/c1-12-9-10-27-18(12)19(24)22-17-8-7-14(11-13(17)2)23-20(25)15-5-3-4-6-16(15)21(23)26/h3-11H,1-2H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132800
(CHEMBL3634442)Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12 Show InChI InChI=1S/C25H18N2O4/c1-14-6-5-9-18-21(14)25(30)27(24(18)29)20-11-10-19(16-7-3-4-8-17(16)20)26-23(28)22-15(2)12-13-31-22/h3-13H,1-2H3,(H,26,28) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132789
(CHEMBL3634415)Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(C)c2C1=O Show InChI InChI=1S/C21H16N2O4/c1-12-4-3-5-16-17(12)21(26)23(20(16)25)15-8-6-14(7-9-15)22-19(24)18-13(2)10-11-27-18/h3-11H,1-2H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM123744
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31) | PDB
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | 37 |
Vanderbilt University
| Assay Description
PLD in vitro enzymatic assay using phospholipase D2(PLD2). |
Nat Chem Biol 5: 108-17 (2009)
Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132712
(CHEMBL3632642)Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(Cl)c2C1=O Show InChI InChI=1S/C21H15ClN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132798
(CHEMBL3634444)Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c2ccccc12 Show InChI InChI=1S/C24H15FN2O4/c1-13-11-12-31-21(13)22(28)26-18-9-10-19(15-6-3-2-5-14(15)18)27-23(29)16-7-4-8-17(25)20(16)24(27)30/h2-12H,1H3,(H,26,28) | PDB
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| Article
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132801
(CHEMBL3634441)Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c2ccccc12 Show InChI InChI=1S/C24H16N2O4/c1-14-12-13-30-21(14)22(27)25-19-10-11-20(16-7-3-2-6-15(16)19)26-23(28)17-8-4-5-9-18(17)24(26)29/h2-13H,1H3,(H,25,27) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50609398
(CHEMBL5270452) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
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| UniChem
| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132781
(CHEMBL3634423)Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(C)c1 Show InChI InChI=1S/C22H18N2O4/c1-12-5-4-6-16-18(12)22(27)24(21(16)26)17-8-7-15(11-14(17)3)23-20(25)19-13(2)9-10-28-19/h4-11H,1-3H3,(H,23,25) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132799
(CHEMBL3634443)Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c2ccccc12 Show InChI InChI=1S/C24H15ClN2O4/c1-13-11-12-31-21(13)22(28)26-18-9-10-19(15-6-3-2-5-14(15)18)27-23(29)16-7-4-8-17(25)20(16)24(27)30/h2-12H,1H3,(H,26,28) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132786
(CHEMBL3634418)Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C20H13FN2O4/c1-11-8-9-27-17(11)18(24)22-12-6-7-16(15(21)10-12)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132785
(CHEMBL3634419)Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(F)c1 Show InChI InChI=1S/C21H15FN2O4/c1-11-4-3-5-14-17(11)21(27)24(20(14)26)16-7-6-13(10-15(16)22)23-19(25)18-12(2)8-9-28-18/h3-10H,1-2H3,(H,23,25) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132784
(CHEMBL3634420)Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1 Show InChI InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132796
(CHEMBL3634446)Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1Cl)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C20H13ClN2O4/c1-11-8-9-27-17(11)18(24)22-16-7-6-12(10-15(16)21)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132788
(CHEMBL3634416)Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(Cl)c2C1=O Show InChI InChI=1S/C20H13ClN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM123744
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31) | PDB
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| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | 37 |
Vanderbilt University
| Assay Description
Phopholipase D1(PLD)enzymatic inhibition assay using PLD1.d311 |
Nat Chem Biol 5: 108-17 (2009)
Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50605085
(CHEMBL5204021)Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r| | Reactome pathway
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50609398
(CHEMBL5270452) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132783
(CHEMBL3634421)Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(F)c1 Show InChI InChI=1S/C20H12F2N2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50609399
(CHEMBL5274311) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132807
(CHEMBL3634435)Show SMILES Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(Cl)c2C1=O Show InChI InChI=1S/C19H12ClN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50605085
(CHEMBL5204021)Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r| | Reactome pathway
KEGG
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PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00192
BindingDB Entry DOI: 10.7270/Q23N27HG |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132787
(CHEMBL3634417)Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(F)c2C1=O Show InChI InChI=1S/C20H13FN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212892
(US9278960, 2-39 | US9663506, Example 2-39)Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O Show InChI InChI=1S/C22H18FN3O4/c1-30-13-3-5-14(17(23)9-13)16-10-19(22(24)29)25-18-8-12(2-4-15(16)18)11-26-20(27)6-7-21(26)28/h2-5,8-10H,6-7,11H2,1H3,(H2,24,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of mGlu2R (unknown origin) |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM36418
(3,4-Dichloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d...)Show SMILES Clc1ccc(cc1Cl)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C21H22Cl2N4O2/c22-16-6-5-14(13-17(16)23)20(28)24-9-12-26-10-7-15(8-11-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | 37 |
Vanderbilt University
| Assay Description
PLD in vitro enzymatic assay using phospholipase D1(PLD1). |
Nat Chem Biol 5: 108-17 (2009)
Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50258182
((S)-N-(1-(4-(5-Chloro-2-oxo-2,3-dihydro-1H-benzo[d...)Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H27ClN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | 37 |
Vanderbilt University
| Assay Description
PLD in vitro enzymatic assay using phospholipase D1(PLD1). |
Nat Chem Biol 5: 108-17 (2009)
Article DOI: 10.1038/nchembio.140
BindingDB Entry DOI: 10.7270/Q2D50KBK |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50132774
(CHEMBL3634430)Show SMILES COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-13-7-8-16(17(11-13)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human mGluR1 by calcium mobilization assay |
Bioorg Med Chem Lett 25: 5107-10 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.013
BindingDB Entry DOI: 10.7270/Q20C4XKQ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50609395
(CHEMBL5277011) | Reactome pathway
KEGG
UniProtKB/SwissProt
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| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
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