Found 1223 hits with Last Name = 'herr' and Initial = 'm' 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
(Homo sapiens (Human)) | BDBM50365592
(CHEMBL1957805)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3ccnn23)c(F)c1 Show InChI InChI=1S/C20H20F2N4O/c21-16-5-4-15(18(22)14-16)7-9-24-10-12-25(13-11-24)20(27)19-3-1-2-17-6-8-23-26(17)19/h1-6,8,14H,7,9-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324540
(CHEMBL1215661 | Pruvanserin)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1 Show InChI InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324541
(1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyp...)Show SMILES COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C |(4.32,-10.34,;4.33,-11.88,;3,-12.66,;1.65,-11.89,;.32,-12.66,;.33,-14.2,;-1,-14.97,;-2.33,-14.2,;-2.34,-12.66,;-3.67,-14.97,;-5,-14.21,;-6.34,-14.98,;-7.67,-14.21,;-7.67,-12.66,;-9.01,-11.89,;-6.34,-11.89,;-5.01,-12.66,;-3.68,-11.88,;1.67,-14.97,;3,-14.2,;4.33,-14.97,;4.09,-16.48,;2.72,-17.18,;5.46,-17.18,;6.55,-16.08,;5.84,-14.71,;6.54,-13.34,)| Show InChI InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365589
(CHEMBL1957802)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2nn3ccccc3c2Cl)c(F)c1 Show InChI InChI=1S/C20H19ClF2N4O/c21-18-17-3-1-2-7-27(17)24-19(18)20(28)26-11-9-25(10-12-26)8-6-14-4-5-15(22)13-16(14)23/h1-5,7,13H,6,8-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365586
(CHEMBL1957801)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2nn3ccccc3c2Br)c(F)c1 Show InChI InChI=1S/C20H19BrF2N4O/c21-18-17-3-1-2-7-27(17)24-19(18)20(28)26-11-9-25(10-12-26)8-6-14-4-5-15(22)13-16(14)23/h1-5,7,13H,6,8-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324551
((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(2,4-difl...)Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C17H19BrF2N4O/c1-22-11-14(18)16(21-22)17(25)24-8-6-23(7-9-24)5-4-12-2-3-13(19)10-15(12)20/h2-3,10-11H,4-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324551
((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(2,4-difl...)Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C17H19BrF2N4O/c1-22-11-14(18)16(21-22)17(25)24-8-6-23(7-9-24)5-4-12-2-3-13(19)10-15(12)20/h2-3,10-11H,4-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365595
(CHEMBL1957812)Show SMILES Nc1cccc2nc(cn12)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C20H21F2N5O/c21-15-5-4-14(16(22)12-15)6-7-25-8-10-26(11-9-25)20(28)17-13-27-18(23)2-1-3-19(27)24-17/h1-5,12-13H,6-11,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365590
(CHEMBL1957818)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(Cl)nc23)c(F)c1 Show InChI InChI=1S/C20H19ClF2N4O/c21-18-13-27-6-1-2-16(19(27)24-18)20(28)26-10-8-25(9-11-26)7-5-14-3-4-15(22)12-17(14)23/h1-4,6,12-13H,5,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365585
(CHEMBL1957816)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3ccnc23)c(F)c1 Show InChI InChI=1S/C20H20F2N4O/c21-16-4-3-15(18(22)14-16)5-8-24-10-12-26(13-11-24)20(27)17-2-1-7-25-9-6-23-19(17)25/h1-4,6-7,9,14H,5,8,10-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365581
(CHEMBL1957817)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(Br)nc23)c(F)c1 Show InChI InChI=1S/C20H19BrF2N4O/c21-18-13-27-6-1-2-16(19(27)24-18)20(28)26-10-8-25(9-11-26)7-5-14-3-4-15(22)12-17(14)23/h1-4,6,12-13H,5,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365579
(CHEMBL1957814)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cnc3ccccn23)c(F)c1 Show InChI InChI=1S/C20H20F2N4O/c21-16-5-4-15(17(22)13-16)6-8-24-9-11-25(12-10-24)20(27)18-14-23-19-3-1-2-7-26(18)19/h1-5,7,13-14H,6,8-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365591
(CHEMBL1957803)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3ccccc23)c(F)c1 Show InChI InChI=1S/C20H20F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)17-14-23-26-7-2-1-3-19(17)26/h1-5,7,13-14H,6,8-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365583
(CHEMBL1957811)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2nc3ccccn3c2Br)c(F)c1 Show InChI InChI=1S/C20H19BrF2N4O/c21-19-18(24-17-3-1-2-7-27(17)19)20(28)26-11-9-25(10-12-26)8-6-14-4-5-15(22)13-16(14)23/h1-5,7,13H,6,8-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50324542
(2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...)Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Binding affinity to rat 5HT2A receptor |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365580
(CHEMBL1957808)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cc3CCCCn3n2)c(F)c1 Show InChI InChI=1S/C20H24F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)19-14-17-3-1-2-7-26(17)23-19/h4-5,13-14H,1-3,6-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324567
(2-[4-(4-Chloro-1-ethyl-1H-pyrazole-3-carbonyl)pipe...)Show SMILES CCn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H20ClFN4O2/c1-2-24-11-15(19)17(21-24)18(26)23-9-7-22(8-10-23)12-16(25)13-3-5-14(20)6-4-13/h3-6,11H,2,7-10,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Canis familiaris) | BDBM50324542
(2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...)Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Binding affinity to dog 5HT2A receptor |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365593
(CHEMBL1957813)Show SMILES Nc1cccn2cc(nc12)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C20H21F2N5O/c21-15-4-3-14(16(22)12-15)5-7-25-8-10-26(11-9-25)20(28)18-13-27-6-1-2-17(23)19(27)24-18/h1-4,6,12-13H,5,7-11,23H2 | 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 |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365574
(CHEMBL1957819)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(nc23)C#N)c(F)c1 Show InChI InChI=1S/C21H19F2N5O/c22-16-4-3-15(19(23)12-16)5-7-26-8-10-27(11-9-26)21(29)18-2-1-6-28-14-17(13-24)25-20(18)28/h1-4,6,12,14H,5,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50008294
(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Thymidylate synthase of E. coli (Ki) |
J Med Chem 34: 1925-34 (1991)
BindingDB Entry DOI: 10.7270/Q25Q4V1Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365577
(CHEMBL1957815)Show SMILES Cc1nc2ccccn2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C21H22F2N4O/c1-15-20(27-8-3-2-4-19(27)24-15)21(28)26-12-10-25(11-13-26)9-7-16-5-6-17(22)14-18(16)23/h2-6,8,14H,7,9-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365594
(CHEMBL1957821)Show SMILES Cc1cc(C)n2ccnc2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C22H24F2N4O/c1-15-13-16(2)28-8-6-25-21(28)20(15)22(29)27-11-9-26(10-12-27)7-5-17-3-4-18(23)14-19(17)24/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324545
((4-Bromo-1-methyl-1Hpyrazol-3-yl)-{4-[2-(4-fluorop...)Show InChI InChI=1S/C17H20BrFN4O/c1-21-12-15(18)16(20-21)17(24)23-10-8-22(9-11-23)7-6-13-2-4-14(19)5-3-13/h2-5,12H,6-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324542
(2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...)Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365578
(CHEMBL1957807)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3cccnc23)c(F)c1 Show InChI InChI=1S/C19H19F2N5O/c20-15-3-2-14(17(21)12-15)4-7-24-8-10-25(11-9-24)19(27)16-13-23-26-6-1-5-22-18(16)26/h1-3,5-6,12-13H,4,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324554
(2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)pipe...)Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18BrFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365582
(CHEMBL1957810)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cn3ccccc3n2)c(F)c1 Show InChI InChI=1S/C20H20F2N4O/c21-16-5-4-15(17(22)13-16)6-8-24-9-11-25(12-10-24)20(27)18-14-26-7-2-1-3-19(26)23-18/h1-5,7,13-14H,6,8-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324570
(1-(4-Fluorophenyl)-2-[4-(4-iodo-1-methyl-1H-pyrazo...)Show SMILES Cn1cc(I)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18FIN4O2/c1-21-10-14(19)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324562
(2-[4-(4-Bromo-1,5-dimethyl-1H-pyrazole-3-carbonyl)...)Show SMILES Cc1c(Br)c(nn1C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H20BrFN4O2/c1-12-16(19)17(21-22(12)2)18(26)24-9-7-23(8-10-24)11-15(25)13-3-5-14(20)6-4-13/h3-6H,7-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324563
(2-[4-(4-Bromo-5-methyl-1H-pyrazole-3-carbonyl)pipe...)Show SMILES Cc1n[nH]c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br Show InChI InChI=1S/C17H18BrFN4O2/c1-11-15(18)16(21-20-11)17(25)23-8-6-22(7-9-23)10-14(24)12-2-4-13(19)5-3-12/h2-5H,6-10H2,1H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50012244
(2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylm...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Thymidylate synthase of E. coli (Ki) |
J Med Chem 34: 1925-34 (1991)
BindingDB Entry DOI: 10.7270/Q25Q4V1Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365587
(CHEMBL1957820)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cc(Br)cn3ccnc23)c(F)c1 Show InChI InChI=1S/C20H19BrF2N4O/c21-15-11-17(19-24-4-6-27(19)13-15)20(28)26-9-7-25(8-10-26)5-3-14-1-2-16(22)12-18(14)23/h1-2,4,6,11-13H,3,5,7-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365576
(CHEMBL1957806)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cc3ncccn3n2)c(F)c1 Show InChI InChI=1S/C19H19F2N5O/c20-15-3-2-14(16(21)12-15)4-7-24-8-10-25(11-9-24)19(27)17-13-18-22-5-1-6-26(18)23-17/h1-3,5-6,12-13H,4,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365588
(CHEMBL1957800)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cc3ccccn3n2)c(F)c1 Show InChI InChI=1S/C20H20F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)19-14-17-3-1-2-7-26(17)23-19/h1-5,7,13-14H,6,8-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365584
(CHEMBL1957804)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3cc(Cl)ccc23)c(F)c1 Show InChI InChI=1S/C20H19ClF2N4O/c21-15-2-4-19-17(12-24-27(19)13-15)20(28)26-9-7-25(8-10-26)6-5-14-1-3-16(22)11-18(14)23/h1-4,11-13H,5-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50398061
(CHEMBL2181928)Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone from human GST-tagged MR ligand binding domain after 4 hrs by liquid scintillation counting |
J Med Chem 61: 1086-1097 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01515
BindingDB Entry DOI: 10.7270/Q2V1277H |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50054539
(CHEMBL3323088)Show InChI InChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting |
ACS Med Chem Lett 5: 760-5 (2014)
Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50012244
(2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylm...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Thymidylate synthase (Ki) |
J Med Chem 34: 1925-34 (1991)
BindingDB Entry DOI: 10.7270/Q25Q4V1Q |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324565
(2-[4-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)piperazi...)Show SMILES Cc1cc(nn1C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H21FN4O2/c1-13-11-16(20-21(13)2)18(25)23-9-7-22(8-10-23)12-17(24)14-3-5-15(19)6-4-14/h3-6,11H,7-10,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324566
(2-[4-(1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl...)Show SMILES Cc1cc(nn1C(C)(C)C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H27FN4O2/c1-15-13-18(23-26(15)21(2,3)4)20(28)25-11-9-24(10-12-25)14-19(27)16-5-7-17(22)8-6-16/h5-8,13H,9-12,14H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324571
(1-(4-Fluorophenyl)-2-[4-(5-methyl-2-phenyl-2H-pyra...)Show SMILES Cc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H23FN4O2/c1-17-15-21(25-28(17)20-5-3-2-4-6-20)23(30)27-13-11-26(12-14-27)16-22(29)18-7-9-19(24)10-8-18/h2-10,15H,11-14,16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50011244
(6-{[(4-Benzenesulfonyl-phenyl)-prop-2-ynyl-amino]-...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H21N3O3S/c1-3-15-28(17-19-9-14-24-23(16-19)25(29)27-18(2)26-24)20-10-12-22(13-11-20)32(30,31)21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against recombinant human thymidylate synthase |
J Med Chem 40: 677-83 (1997)
Article DOI: 10.1021/jm960613f
BindingDB Entry DOI: 10.7270/Q25X2810 |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50008294
(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Thymidylate synthase (Ki) |
J Med Chem 34: 1925-34 (1991)
BindingDB Entry DOI: 10.7270/Q25Q4V1Q |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50011244
(6-{[(4-Benzenesulfonyl-phenyl)-prop-2-ynyl-amino]-...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H21N3O3S/c1-3-15-28(17-19-9-14-24-23(16-19)25(29)27-18(2)26-24)20-10-12-22(13-11-20)32(30,31)21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against recombinant human thymidylate synthase |
J Med Chem 40: 677-83 (1997)
Article DOI: 10.1021/jm960613f
BindingDB Entry DOI: 10.7270/Q25X2810 |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50011244
(6-{[(4-Benzenesulfonyl-phenyl)-prop-2-ynyl-amino]-...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H21N3O3S/c1-3-15-28(17-19-9-14-24-23(16-19)25(29)27-18(2)26-24)20-10-12-22(13-11-20)32(30,31)21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Thymidylate synthase (Ki) |
J Med Chem 34: 1925-34 (1991)
BindingDB Entry DOI: 10.7270/Q25Q4V1Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365575
(CHEMBL1957809)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cnn3CCCCc23)c(F)c1 Show InChI InChI=1S/C20H24F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)17-14-23-26-7-2-1-3-19(17)26/h4-5,13-14H,1-3,6-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324547
((4-Bromo-1-methyl-1Hpyrazol-3-yl)-{4-[2-(2-fluorop...)Show InChI InChI=1S/C17H20BrFN4O/c1-21-12-14(18)16(20-21)17(24)23-10-8-22(9-11-23)7-6-13-4-2-3-5-15(13)19/h2-5,12H,6-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324568
(2-[4-(4-Chloro-1H-pyrazole-3-carbonyl)piperazin-1-...)Show SMILES Fc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1[nH]ncc1Cl Show InChI InChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50056521
(6-{[(4-Benzenesulfonyl-3-fluoro-phenyl)-prop-2-yny...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(F)c3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20FN3O3S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)33(31,32)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against recombinant human thymidylate synthase |
J Med Chem 40: 677-83 (1997)
Article DOI: 10.1021/jm960613f
BindingDB Entry DOI: 10.7270/Q25X2810 |
More data for this
Ligand-Target Pair | |
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