Found 627 hits with Last Name = 'vargas' and Initial = 'hm' 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 |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50108690
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169847
(4-(4-Azetidin-1-yl-benzenesulfonyl)-1-[2-(2,4-difl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1 Show InChI InChI=1S/C22H25F3N2O2S/c23-18-3-2-17(21(24)16-18)8-13-26-14-9-22(25,10-15-26)30(28,29)20-6-4-19(5-7-20)27-11-1-12-27/h2-7,16H,1,8-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169848
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fl...)Show SMILES Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-2-1-3-17(12-15)27(25,26)19(23)7-10-24(11-8-19)9-6-14-4-5-16(21)13-18(14)22/h1-5,12-13H,6-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169840
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-6-5-14(17(22)13-15)7-10-24-11-8-19(23,9-12-24)27(25,26)18-4-2-1-3-16(18)21/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50108690
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169842
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50108699
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84445
(Isoindoline, 12)Show SMILES OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-17-4-5-19-22(10-17)30-26-23(19)15-6-8-28(9-7-15)18(14-29)12-27-11-16-2-1-3-21(25)20(16)13-27/h1-5,10,15,18,29H,6-9,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84440
(Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9)Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169846
(2-(4-Benzenesulfonyl-piperidin-1-yl)-1-(2,4-difluo...)Show SMILES Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H19F2NO3S/c20-14-6-7-17(18(21)12-14)19(23)13-22-10-8-16(9-11-22)26(24,25)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84451
(Isoindoline, 18 | Isoindoline, 19)Show SMILES COc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H28FN3O3/c1-30-21-4-2-17-12-27(13-18(17)10-21)14-20(15-29)28-8-6-16(7-9-28)24-22-5-3-19(25)11-23(22)31-26-24/h2-5,10-11,16,20,29H,6-9,12-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169842
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169841
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169844
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-[1...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2ccnn2)c(F)c1 Show InChI InChI=1S/C21H21F3N4O2S/c22-17-2-1-16(20(23)15-17)7-11-27-12-8-21(24,9-13-27)31(29,30)19-5-3-18(4-6-19)28-14-10-25-26-28/h1-6,10,14-15H,7-9,11-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169838
(4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H20F3NO2S/c20-16-7-6-15(18(21)14-16)8-11-23-12-9-19(22,10-13-23)26(24,25)17-4-2-1-3-5-17/h1-7,14H,8-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169847
(4-(4-Azetidin-1-yl-benzenesulfonyl)-1-[2-(2,4-difl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1 Show InChI InChI=1S/C22H25F3N2O2S/c23-18-3-2-17(21(24)16-18)8-13-26-14-9-22(25,10-15-26)30(28,29)20-6-4-19(5-7-20)27-11-1-12-27/h2-7,16H,1,8-15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84440
(Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9)Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84446
(Isoindoline, 13)Show SMILES OCC(CN1Cc2ccc(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25ClFN3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84443
(Isoindoline, 10 | Isoindoline, 11)Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169839
(4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-pipe...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C20H19F3N2O2S/c21-17-4-3-16(19(22)13-17)7-10-25-11-8-20(23,9-12-25)28(26,27)18-5-1-15(14-24)2-6-18/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84453
(Isoindoline, 20)Show SMILES COc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O3/c1-30-22-4-2-3-17-12-27(14-21(17)22)13-19(15-29)28-9-7-16(8-10-28)24-20-6-5-18(25)11-23(20)31-26-24/h2-6,11,16,19,29H,7-10,12-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50169845
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-py...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1 Show InChI InChI=1S/C22H22F3N3O2S/c23-18-3-2-17(21(24)16-18)8-13-27-14-9-22(25,10-15-27)31(29,30)20-6-4-19(5-7-20)28-12-1-11-26-28/h1-7,11-12,16H,8-10,13-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169845
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-py...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1 Show InChI InChI=1S/C22H22F3N3O2S/c23-18-3-2-17(21(24)16-18)8-13-27-14-9-22(25,10-15-27)31(29,30)20-6-4-19(5-7-20)28-12-1-11-26-28/h1-7,11-12,16H,8-10,13-15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169846
(2-(4-Benzenesulfonyl-piperidin-1-yl)-1-(2,4-difluo...)Show SMILES Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H19F2NO3S/c20-14-6-7-17(18(21)12-14)19(23)13-22-10-8-16(9-11-22)26(24,25)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169839
(4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-pipe...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C20H19F3N2O2S/c21-17-4-3-16(19(22)13-17)7-10-25-11-8-20(23,9-12-25)28(26,27)18-5-1-15(14-24)2-6-18/h1-6,13H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84459
(Isoindoline, 26)Show SMILES OCC(CN1CCc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H28FN3O2/c25-20-5-6-22-23(13-20)30-26-24(22)18-8-11-28(12-9-18)21(16-29)15-27-10-7-17-3-1-2-4-19(17)14-27/h1-6,13,18,21,29H,7-12,14-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84449
(Isoindoline, 16)Show SMILES Cc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O2/c1-16-3-2-4-18-12-27(14-22(16)18)13-20(15-29)28-9-7-17(8-10-28)24-21-6-5-19(25)11-23(21)30-26-24/h2-6,11,17,20,29H,7-10,12-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM84456
(Isoindoline, 23)Show SMILES OCC(CN1Cc2ccccc2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H24FN3O3/c24-17-5-6-20-21(11-17)30-25-22(20)15-7-9-26(10-8-15)18(14-28)13-27-12-16-3-1-2-4-19(16)23(27)29/h1-6,11,15,18,28H,7-10,12-14H2 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84448
(Isoindoline, 15)Show SMILES Cc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H28FN3O2/c1-16-2-3-18-12-27(13-19(18)10-16)14-21(15-29)28-8-6-17(7-9-28)24-22-5-4-20(25)11-23(22)30-26-24/h2-5,10-11,17,21,29H,6-9,12-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84456
(Isoindoline, 23)Show SMILES OCC(CN1Cc2ccccc2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H24FN3O3/c24-17-5-6-20-21(11-17)30-25-22(20)15-7-9-26(10-8-15)18(14-28)13-27-12-16-3-1-2-4-19(16)23(27)29/h1-6,11,15,18,28H,7-10,12-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM84446
(Isoindoline, 13)Show SMILES OCC(CN1Cc2ccc(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25ClFN3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM84449
(Isoindoline, 16)Show SMILES Cc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O2/c1-16-3-2-4-18-12-27(14-22(16)18)13-20(15-29)28-9-7-17(8-10-28)24-21-6-5-19(25)11-23(21)30-26-24/h2-6,11,17,20,29H,7-10,12-15H2,1H3 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 12.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169840
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-6-5-14(17(22)13-15)7-10-24-11-8-19(23,9-12-24)27(25,26)18-4-2-1-3-16(18)21/h1-6,13H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM84453
(Isoindoline, 20)Show SMILES COc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O3/c1-30-22-4-2-3-17-12-27(14-21(17)22)13-19(15-29)28-9-7-16(8-10-28)24-20-6-5-18(25)11-23(20)31-26-24/h2-6,11,16,19,29H,7-10,12-15H2,1H3 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 17.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM84459
(Isoindoline, 26)Show SMILES OCC(CN1CCc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H28FN3O2/c25-20-5-6-22-23(13-20)30-26-24(22)18-8-11-28(12-9-18)21(16-29)15-27-10-7-17-3-1-2-4-19(17)14-27/h1-6,13,18,21,29H,7-12,14-16H2 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84450
(Isoindoline, 17)Show SMILES OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H25F4N3O2/c25-19-3-4-21-22(10-19)33-29-23(21)15-5-7-31(8-6-15)20(14-32)13-30-11-16-1-2-18(24(26,27)28)9-17(16)12-30/h1-4,9-10,15,20,32H,5-8,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 19.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM84451
(Isoindoline, 18 | Isoindoline, 19)Show SMILES COc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H28FN3O3/c1-30-21-4-2-17-12-27(13-18(17)10-21)14-20(15-29)28-8-6-16(7-9-28)24-22-5-3-19(25)11-23(22)31-26-24/h2-5,10-11,16,20,29H,6-9,12-15H2,1H3 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84447
(Isoindoline, 14)Show SMILES OCC(CN1Cc2cc(Cl)c(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H24Cl2FN3O2/c24-20-7-15-10-28(11-16(15)8-21(20)25)12-18(13-30)29-5-3-14(4-6-29)23-19-2-1-17(26)9-22(19)31-27-23/h1-2,7-9,14,18,30H,3-6,10-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84457
(Isoindoline, 24)Show SMILES OCC(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 |r| Show InChI InChI=1S/C23H28FN3O4/c24-15-5-6-19-20(11-15)31-25-21(19)14-7-9-26(10-8-14)16(13-28)12-27-22(29)17-3-1-2-4-18(17)23(27)30/h5-6,11,14,16-18,28H,1-4,7-10,12-13H2/t16?,17-,18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 24.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50108690
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM84450
(Isoindoline, 17)Show SMILES OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H25F4N3O2/c25-19-3-4-21-22(10-19)33-29-23(21)15-5-7-31(8-6-15)20(14-32)13-30-11-16-1-2-18(24(26,27)28)9-17(16)12-30/h1-4,9-10,15,20,32H,5-8,11-14H2 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84440
(Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9)Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 35.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM84443
(Isoindoline, 10 | Isoindoline, 11)Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 35.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM84440
(Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9)Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169848
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fl...)Show SMILES Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C19H19F4NO2S/c20-15-2-1-3-17(12-15)27(25,26)19(23)7-10-24(11-8-19)9-6-14-4-5-16(21)13-18(14)22/h1-5,12-13H,6-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169838
(4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl...)Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2)c(F)c1 Show InChI InChI=1S/C19H20F3NO2S/c20-16-7-6-15(18(21)14-16)8-11-23-12-9-19(22,10-13-23)26(24,25)17-4-2-1-3-5-17/h1-7,14H,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM84440
(Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9)Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 54.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM84445
(Isoindoline, 12)Show SMILES OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-17-4-5-19-22(10-17)30-26-23(19)15-6-8-28(9-7-15)18(14-29)12-27-11-16-2-1-3-21(25)20(16)13-27/h1-5,10,15,18,29H,6-9,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 55.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
| Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp. |
Chembiochem 3: 999-1009 (2002)
Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228614
(CHEMBL51405)Show InChI InChI=1S/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Uppsala
Curated by ChEMBL
| Assay Description Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex. |
J Med Chem 35: 285-94 (1992)
BindingDB Entry DOI: 10.7270/Q28G8NXX |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50004726
(1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Uppsala
Curated by ChEMBL
| Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay |
J Med Chem 35: 3270-9 (1992)
BindingDB Entry DOI: 10.7270/Q2KP813K |
More data for this Ligand-Target Pair | |