Found 1116 hits with Last Name = 'manetti' and Initial = 'd' 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 M3
(Homo sapiens (Human)) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| 0.135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| 0.178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50415153
(CHEMBL569307)Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1/t20-,23+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.692 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50415144
(CHEMBL583051)Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50415145
(CHEMBL571121)Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50530219
(CHEMBL4454983)Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@]13[H])OC |r,TLB:2:3:50:21.18,27:21:50:10.5.3,28:27:23:16.18,10:16:46.47.27:23,THB:8:7:3.2:10.13.12,52:24:50.46.47:21,19:18:50:10.5.3,19:18:46.47.27:23,47:50:21.18:10.5.3,11:10:50:21.18,26:27:23:16.18,24:23:46.47.27:16.18,48:47:23:16.18| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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MCE KEGG PC cid PC sid PDB UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyllycaconitine from alpha7* nAChR in rat brain P2 membranes after 2.5 hrs by liquid scintillation spectrometry |
J Med Chem 62: 1887-1901 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01372 BindingDB Entry DOI: 10.7270/Q2PR80F8 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50530219
(CHEMBL4454983)Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@]13[H])OC |r,TLB:2:3:50:21.18,27:21:50:10.5.3,28:27:23:16.18,10:16:46.47.27:23,THB:8:7:3.2:10.13.12,52:24:50.46.47:21,19:18:50:10.5.3,19:18:46.47.27:23,47:50:21.18:10.5.3,11:10:50:21.18,26:27:23:16.18,24:23:46.47.27:16.18,48:47:23:16.18| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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MCE KEGG PC cid PC sid PDB UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyllycaconitine from alpha7* nAChR in rat brain P2 membranes after 2.5 hrs by liquid scintillation spectrometry |
J Med Chem 62: 1887-1901 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01372 BindingDB Entry DOI: 10.7270/Q2PR80F8 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50415153
(CHEMBL569307)Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1/t20-,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50415153
(CHEMBL569307)Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1/t20-,23+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50415145
(CHEMBL571121)Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369931
(CHEMBL4167555)Show SMILES CN1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50369749
(CHEMBL4161993)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C25H26N4O6S2/c26-36(32,33)22-10-6-19(7-11-22)24(30)28-14-15-29(21(17-28)16-18-4-2-1-3-5-18)25(31)20-8-12-23(13-9-20)37(27,34)35/h1-13,21H,14-17H2,(H2,26,32,33)(H2,27,34,35)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369884
(CHEMBL4172413)Show SMILES CS(=O)(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O5S2/c1-28(24,25)21-11-12-22(17(14-21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)29(20,26)27/h2-10,17H,11-14H2,1H3,(H2,20,26,27)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50415152
(CHEMBL569760)Show SMILES C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.09 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50473413
(CHEMBL126487)Show InChI InChI=1S/C12H20N3/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9,13H2,1-2H3/q+1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand |
J Med Chem 44: 3946-55 (2001)
Article DOI: 10.1021/jm010901y BindingDB Entry DOI: 10.7270/Q2B56NH9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369819
(CHEMBL4163666)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369730
(CHEMBL4164109)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C25H27N3O3S/c26-32(30,31)24-13-11-22(12-14-24)25(29)28-16-15-27(18-21-9-5-2-6-10-21)23(19-28)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,26,30,31)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50415153
(CHEMBL569307)Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1/t20-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369825
(CHEMBL4171305)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)28-15-16-29(25(30)18-21-9-5-2-6-10-21)23(19-28)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50369819
(CHEMBL4163666)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369731
(CHEMBL4161747)Show SMILES CC(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)22-11-12-23(18(14-22)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex |
J Med Chem 50: 4993-5002 (2007)
Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50412182
(CHEMBL539120)Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 5490-500 (2008)
Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50412182
(CHEMBL539120)Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells |
Bioorg Med Chem 16: 5490-500 (2008)
Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50412182
(CHEMBL539120)Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells |
Bioorg Med Chem 16: 5490-500 (2008)
Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50412182
(CHEMBL539120)Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 5490-500 (2008)
Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369750
(CHEMBL4167883)Show SMILES CC(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50415145
(CHEMBL571121)Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369986
(CHEMBL4171956)Show SMILES CN1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(17(14-21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369934
(CHEMBL4175825)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5S2/c25-33(29,30)22-13-11-20(12-14-22)24(28)27-16-15-26(34(31,32)23-9-5-2-6-10-23)18-21(27)17-19-7-3-1-4-8-19/h1-14,21H,15-18H2,(H2,25,29,30)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50369934
(CHEMBL4175825)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5S2/c25-33(29,30)22-13-11-20(12-14-22)24(28)27-16-15-26(34(31,32)23-9-5-2-6-10-23)18-21(27)17-19-7-3-1-4-8-19/h1-14,21H,15-18H2,(H2,25,29,30)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50369931
(CHEMBL4167555)Show SMILES CN1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50415145
(CHEMBL571121)Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369889
(CHEMBL4164457)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H25N3O4S/c26-33(31,32)23-13-11-21(12-14-23)24(29)27-15-16-28(25(30)20-9-5-2-6-10-20)22(18-27)17-19-7-3-1-4-8-19/h1-14,22H,15-18H2,(H2,26,31,32)/t22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50412182
(CHEMBL539120)Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells |
Bioorg Med Chem 16: 5490-500 (2008)
Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50412182
(CHEMBL539120)Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells |
Bioorg Med Chem 16: 5490-500 (2008)
Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50412177
(CHEMBL493979)Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20-,24?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 5490-500 (2008)
Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50412177
(CHEMBL493979)Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20-,24?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 5490-500 (2008)
Article DOI: 10.1016/j.bmc.2008.04.013 BindingDB Entry DOI: 10.7270/Q21N82BT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50415153
(CHEMBL569307)Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1/t20-,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50473417
(CHEMBL129827)Show InChI InChI=1S/C10H16ClN4/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10/h3-4H,5-8H2,1-2H3/q+1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand |
J Med Chem 44: 3946-55 (2001)
Article DOI: 10.1021/jm010901y BindingDB Entry DOI: 10.7270/Q2B56NH9 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50473417
(CHEMBL129827)Show InChI InChI=1S/C10H16ClN4/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10/h3-4H,5-8H2,1-2H3/q+1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description compound was evaluated for pKi |
J Med Chem 44: 3946-55 (2001)
Article DOI: 10.1021/jm010901y BindingDB Entry DOI: 10.7270/Q2B56NH9 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50415145
(CHEMBL571121)Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369883
(CHEMBL4160707)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN[C@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50607434
(CHEMBL5218795)Show SMILES COc1cc(\C=C\C(=O)OCCCN(CCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.60 | 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.2c01175 BindingDB Entry DOI: 10.7270/Q2DB85ZF |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50369819
(CHEMBL4163666)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369886
(CHEMBL4169920)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C25H26N4O6S2/c26-36(32,33)22-10-6-19(7-11-22)24(30)28-14-15-29(21(17-28)16-18-4-2-1-3-5-18)25(31)20-8-12-23(13-9-20)37(27,34)35/h1-13,21H,14-17H2,(H2,26,32,33)(H2,27,34,35)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50607432
(CHEMBL5220025)Show SMILES COc1cc(\C=C\C(=O)OCCCCCCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.20 | 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.2c01175 BindingDB Entry DOI: 10.7270/Q2DB85ZF |
More data for this Ligand-Target Pair | |