Found 95 hits with Last Name = 'piras' and Initial = 's' 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 |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50143314
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515333
(CHEMBL4460815)Show SMILES Fc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H17FN4O/c18-12-1-3-13(4-2-12)21-17(23)11-5-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515321
(CHEMBL4543232)Show SMILES O=C(N1CCc2ccccc2C1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C20H22N4O/c25-20(23-6-5-14-3-1-2-4-15(14)11-23)16-7-19(10-21-9-16)24-12-17-8-18(13-24)22-17/h1-4,7,9-10,17-18,22H,5-6,8,11-13H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515320
(CHEMBL4441630)Show SMILES Clc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18| Show InChI InChI=1S/C17H17ClN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515326
(CHEMBL4565381)Show SMILES Fc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18| Show InChI InChI=1S/C17H17FN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515327
(CHEMBL4556523)Show SMILES Fc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c(F)c1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H16F2N4O/c18-11-1-2-16(15(19)4-11)22-17(24)10-3-14(7-20-6-10)23-8-12-5-13(9-23)21-12/h1-4,6-7,12-13,21H,5,8-9H2,(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515322
(CHEMBL4444866)Show SMILES O=C(Nc1ccc2OCOc2c1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C18H18N4O3/c23-18(21-12-1-2-16-17(5-12)25-10-24-16)11-3-15(7-19-6-11)22-8-13-4-14(9-22)20-13/h1-3,5-7,13-14,20H,4,8-10H2,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50143314
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515334
(CHEMBL4581470)Show SMILES O=C(N1CCCc2ccccc12)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C20H22N4O/c25-20(24-7-3-5-14-4-1-2-6-19(14)24)15-8-18(11-21-10-15)23-12-16-9-17(13-23)22-16/h1-2,4,6,8,10-11,16-17,22H,3,5,7,9,12-13H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515325
(CHEMBL4453342)Show SMILES Fc1ccccc1NC(=O)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19| Show InChI InChI=1S/C17H17FN4O/c18-15-3-1-2-4-16(15)21-17(23)11-5-14(8-19-7-11)22-9-12-6-13(10-22)20-12/h1-5,7-8,12-13,20H,6,9-10H2,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.315 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515328
(CHEMBL4435435)Show SMILES Ic1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H17IN4O/c18-12-1-3-13(4-2-12)21-17(23)11-5-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.366 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515324
(CHEMBL4447564)Show SMILES Clc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H17ClN4O/c18-12-1-3-13(4-2-12)21-17(23)11-5-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.404 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515335
(CHEMBL4532589)Show SMILES COc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:14:16:22:19| Show InChI InChI=1S/C18H20N4O2/c1-24-17-4-2-3-13(7-17)21-18(23)12-5-16(9-19-8-12)22-10-14-6-15(11-22)20-14/h2-5,7-9,14-15,20H,6,10-11H2,1H3,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515332
(CHEMBL4462607)Show SMILES COc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1OC |TLB:13:15:21:18| Show InChI InChI=1S/C19H22N4O3/c1-25-17-4-3-13(7-18(17)26-2)22-19(24)12-5-16(9-20-8-12)23-10-14-6-15(11-23)21-14/h3-5,7-9,14-15,21H,6,10-11H2,1-2H3,(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.828 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50406804
(CHEMBL4177192)Show SMILES Clc1ccc(cn1)N1CC2CCC(C1)N2 |TLB:4:7:14:10.11| Show InChI InChI=1S/C11H14ClN3/c12-11-4-3-10(5-13-11)15-6-8-1-2-9(7-15)14-8/h3-5,8-9,14H,1-2,6-7H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain cerebral cortex membrane incubated for 75 mins by scintillation counting method |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515331
(CHEMBL4530364)Show SMILES COc1cc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc(OC)c1 |TLB:12:14:20:17| Show InChI InChI=1S/C19H22N4O3/c1-25-17-5-13(6-18(7-17)26-2)22-19(24)12-3-16(9-20-8-12)23-10-14-4-15(11-23)21-14/h3,5-9,14-15,21H,4,10-11H2,1-2H3,(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.985 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515329
(CHEMBL4571320)Show SMILES O=C(Nc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:13:15:21:18| Show InChI InChI=1S/C17H18N4O/c22-17(20-13-4-2-1-3-5-13)12-6-16(9-18-8-12)21-10-14-7-15(11-21)19-14/h1-6,8-9,14-15,19H,7,10-11H2,(H,20,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515330
(CHEMBL4476500)Show SMILES CCc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:14:16:22:19| Show InChI InChI=1S/C19H22N4O/c1-2-13-4-3-5-15(6-13)22-19(24)14-7-18(10-20-9-14)23-11-16-8-17(12-23)21-16/h3-7,9-10,16-17,21H,2,8,11-12H2,1H3,(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50515323
(CHEMBL4472986)Show SMILES O=C(NCc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19| Show InChI InChI=1S/C18H20N4O/c23-18(20-8-13-4-2-1-3-5-13)14-6-17(10-19-9-14)22-11-15-7-16(12-22)21-15/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515321
(CHEMBL4543232)Show SMILES O=C(N1CCc2ccccc2C1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C20H22N4O/c25-20(23-6-5-14-3-1-2-4-15(14)11-23)16-7-19(10-21-9-16)24-12-17-8-18(13-24)22-17/h1-4,7,9-10,17-18,22H,5-6,8,11-13H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515326
(CHEMBL4565381)Show SMILES Fc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18| Show InChI InChI=1S/C17H17FN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515327
(CHEMBL4556523)Show SMILES Fc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c(F)c1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H16F2N4O/c18-11-1-2-16(15(19)4-11)22-17(24)10-3-14(7-20-6-10)23-8-12-5-13(9-23)21-12/h1-4,6-7,12-13,21H,5,8-9H2,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515320
(CHEMBL4441630)Show SMILES Clc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18| Show InChI InChI=1S/C17H17ClN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515334
(CHEMBL4581470)Show SMILES O=C(N1CCCc2ccccc12)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C20H22N4O/c25-20(24-7-3-5-14-4-1-2-6-19(14)24)15-8-18(11-21-10-15)23-12-16-9-17(13-23)22-16/h1-2,4,6,8,10-11,16-17,22H,3,5,7,9,12-13H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515333
(CHEMBL4460815)Show SMILES Fc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H17FN4O/c18-12-1-3-13(4-2-12)21-17(23)11-5-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515325
(CHEMBL4453342)Show SMILES Fc1ccccc1NC(=O)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19| Show InChI InChI=1S/C17H17FN4O/c18-15-3-1-2-4-16(15)21-17(23)11-5-14(8-19-7-11)22-9-12-6-13(10-22)20-12/h1-5,7-8,12-13,20H,6,9-10H2,(H,21,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515328
(CHEMBL4435435)Show SMILES Ic1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H17IN4O/c18-12-1-3-13(4-2-12)21-17(23)11-5-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515322
(CHEMBL4444866)Show SMILES O=C(Nc1ccc2OCOc2c1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C18H18N4O3/c23-18(21-12-1-2-16-17(5-12)25-10-24-16)11-3-15(7-19-6-11)22-8-13-4-14(9-22)20-13/h1-3,5-7,13-14,20H,4,8-10H2,(H,21,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515324
(CHEMBL4447564)Show SMILES Clc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H17ClN4O/c18-12-1-3-13(4-2-12)21-17(23)11-5-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515329
(CHEMBL4571320)Show SMILES O=C(Nc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:13:15:21:18| Show InChI InChI=1S/C17H18N4O/c22-17(20-13-4-2-1-3-5-13)12-6-16(9-18-8-12)21-10-14-7-15(11-21)19-14/h1-6,8-9,14-15,19H,7,10-11H2,(H,20,22) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448368
(CHEMBL3121472)Show SMILES CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)C(=O)OCC |r| Show InChI InChI=1S/C33H33F3N4O5/c1-4-44-29(41)18-17-26(32(43)45-5-2)39-31(42)22-11-14-24(15-12-22)40(3)20-28-30(21-9-7-6-8-10-21)38-25-16-13-23(33(34,35)36)19-27(25)37-28/h6-16,19,26H,4-5,17-18,20H2,1-3H3,(H,39,42)/t26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515335
(CHEMBL4532589)Show SMILES COc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:14:16:22:19| Show InChI InChI=1S/C18H20N4O2/c1-24-17-4-2-3-13(7-17)21-18(23)12-5-16(9-19-8-12)22-10-14-6-15(11-22)20-14/h2-5,7-9,14-15,20H,6,10-11H2,1H3,(H,21,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50448344
(CHEMBL3121462)Show SMILES CN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1ccc(F)c(F)c1 Show InChI InChI=1S/C23H16F5N3/c1-31(16-8-9-17(24)18(25)12-16)13-21-22(14-5-3-2-4-6-14)30-19-10-7-15(23(26,27)28)11-20(19)29-21/h2-12H,13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human thymidylate synthase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515330
(CHEMBL4476500)Show SMILES CCc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:14:16:22:19| Show InChI InChI=1S/C19H22N4O/c1-2-13-4-3-5-15(6-13)22-19(24)14-7-18(10-20-9-14)23-11-16-8-17(12-23)21-16/h3-7,9-10,16-17,21H,2,8,11-12H2,1H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 306 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50448343
(CHEMBL3121447)Show SMILES Cc1ccc(cc1)N(CC#C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C26H20F3N3/c1-3-15-32(21-12-9-18(2)10-13-21)17-24-25(19-7-5-4-6-8-19)31-22-14-11-20(26(27,28)29)16-23(22)30-24/h1,4-14,16H,15,17H2,2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human thymidylate synthase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515332
(CHEMBL4462607)Show SMILES COc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1OC |TLB:13:15:21:18| Show InChI InChI=1S/C19H22N4O3/c1-25-17-4-3-13(7-18(17)26-2)22-19(24)12-5-16(9-20-8-12)23-10-14-6-15(11-23)21-14/h3-5,7-9,14-15,21H,6,10-11H2,1-2H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 516 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50515321
(CHEMBL4543232)Show SMILES O=C(N1CCc2ccccc2C1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C20H22N4O/c25-20(23-6-5-14-3-1-2-4-15(14)11-23)16-7-19(10-21-9-16)24-12-17-8-18(13-24)22-17/h1-4,7,9-10,17-18,22H,5-6,8,11-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50515323
(CHEMBL4472986)Show SMILES O=C(NCc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19| Show InChI InChI=1S/C18H20N4O/c23-18(20-8-13-4-2-1-3-5-13)14-6-17(10-19-9-14)22-11-15-7-16(12-22)21-15/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515323
(CHEMBL4472986)Show SMILES O=C(NCc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19| Show InChI InChI=1S/C18H20N4O/c23-18(20-8-13-4-2-1-3-5-13)14-6-17(10-19-9-14)22-11-15-7-16(12-22)21-15/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515331
(CHEMBL4530364)Show SMILES COc1cc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc(OC)c1 |TLB:12:14:20:17| Show InChI InChI=1S/C19H22N4O3/c1-25-17-5-13(6-18(7-17)26-2)22-19(24)12-3-16(9-20-8-12)23-10-14-4-15(11-23)21-14/h3,5-9,14-15,21H,4,10-11H2,1-2H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448350
(CHEMBL3121448)Show SMILES FC(F)(F)c1ccc2nc(c(CN(CC#C)c3ccccc3Cl)nc2c1)-c1ccccc1 Show InChI InChI=1S/C25H17ClF3N3/c1-2-14-32(23-11-7-6-10-19(23)26)16-22-24(17-8-4-3-5-9-17)31-20-13-12-18(25(27,28)29)15-21(20)30-22/h1,3-13,15H,14,16H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50515332
(CHEMBL4462607)Show SMILES COc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1OC |TLB:13:15:21:18| Show InChI InChI=1S/C19H22N4O3/c1-25-17-4-3-13(7-18(17)26-2)22-19(24)12-5-16(9-20-8-12)23-10-14-6-15(11-23)21-14/h3-5,7-9,14-15,21H,6,10-11H2,1-2H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50448342
(CHEMBL3121450)Show SMILES Fc1ccc(cc1)N(CC#C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H17F4N3/c1-2-14-32(20-11-9-19(26)10-12-20)16-23-24(17-6-4-3-5-7-17)31-21-13-8-18(25(27,28)29)15-22(21)30-23/h1,3-13,15H,14,16H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human thymidylate synthase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50515329
(CHEMBL4571320)Show SMILES O=C(Nc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:13:15:21:18| Show InChI InChI=1S/C17H18N4O/c22-17(20-13-4-2-1-3-5-13)12-6-16(9-18-8-12)21-10-14-7-15(11-21)19-14/h1-6,8-9,14-15,19H,7,10-11H2,(H,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membrane |
Eur J Med Chem 180: 51-61 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448358
(CHEMBL3121469)Show SMILES CCN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C24H19F4N3/c1-2-31(19-11-9-18(25)10-12-19)15-22-23(16-6-4-3-5-7-16)30-20-13-8-17(24(26,27)28)14-21(20)29-22/h3-14H,2,15H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448359
(CHEMBL3121468)Show SMILES CCN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H19ClF3N3/c1-2-31(19-11-9-18(25)10-12-19)15-22-23(16-6-4-3-5-7-16)30-20-13-8-17(24(26,27)28)14-21(20)29-22/h3-14H,2,15H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448345
(CHEMBL3121457)Show SMILES CCOC(=O)Cc1ccc(cc1)N(CC#C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C29H24F3N3O2/c1-3-16-35(23-13-10-20(11-14-23)17-27(36)37-4-2)19-26-28(21-8-6-5-7-9-21)34-24-15-12-22(29(30,31)32)18-25(24)33-26/h1,5-15,18H,4,16-17,19H2,2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448364
(CHEMBL3121461)Show SMILES CN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H17F6N3O/c1-33(17-8-10-18(11-9-17)34-24(28,29)30)14-21-22(15-5-3-2-4-6-15)32-19-12-7-16(23(25,26)27)13-20(19)31-21/h2-13H,14H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448348
(CHEMBL3121451)Show SMILES COc1ccc(cc1)N(CC#C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C26H20F3N3O/c1-3-15-32(20-10-12-21(33-2)13-11-20)17-24-25(18-7-5-4-6-8-18)31-22-14-9-19(26(27,28)29)16-23(22)30-24/h1,4-14,16H,15,17H2,2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448352
(CHEMBL3121445)Show SMILES CCOC(=O)Cc1ccc(cc1)N(CC)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C28H26F3N3O2/c1-3-34(22-13-10-19(11-14-22)16-26(35)36-4-2)18-25-27(20-8-6-5-7-9-20)33-23-15-12-21(28(29,30)31)17-24(23)32-25/h5-15,17H,3-4,16,18H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Sassari
Curated by ChEMBL
| Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry |
Eur J Med Chem 75: 169-83 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH |
More data for this Ligand-Target Pair | |