Found 144 hits with Last Name = 'areias' and Initial = 'f' 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)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin human cloned serotonin 5HT2A receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50409500
(CHEMBL164471 | QF-0703B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50409500
(CHEMBL164471 | QF-0703B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50412720
(CHEMBL461627)Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12 Show InChI InChI=1S/C23H23FN2O5/c1-29-23(28)17-12-30-20-9-13(8-18(27)21(17)20)11-26-6-4-14(5-7-26)22-16-3-2-15(24)10-19(16)31-25-22/h2-3,10,12-14H,4-9,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50477627
(CHEMBL246484 | QF-4108B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]ncc3C(=O)C2)CC1 Show InChI InChI=1S/C20H21FN4O2/c21-14-1-2-15-19(9-14)27-24-20(15)13-3-5-25(6-4-13)11-12-7-17-16(10-22-23-17)18(26)8-12/h1-2,9-10,12-13H,3-8,11H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin human cloned serotonin 5HT2A receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50412727
(CHEMBL492689)Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50412726
(CHEMBL523680)Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50409063
(CHEMBL143027 | QF-1004B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50412724
(CHEMBL516809 | QF-1068B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H25FN2O3/c28-20-6-7-21-26(14-20)33-29-27(21)19-8-10-30(11-9-19)16-17-12-23(31)22-15-24(32-25(22)13-17)18-4-2-1-3-5-18/h1-7,14-15,17,19H,8-13,16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine human cloned serotonin 5HT2C receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50521844
(CHEMBL4538158)Show InChI InChI=1S/C16H16ClN5/c17-12-6-4-11(5-7-12)14-20-15-13(18-10-19-15)16(21-14)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9H2,(H,18,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human A3 receptor expressed in HeLa-A3 cells incubated for 180 mins by scintillation counting method based radioligand ... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50412719
(CHEMBL459930)Show SMILES CCOC(=O)c1oc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2c1C Show InChI InChI=1S/C25H27FN2O5/c1-3-31-25(30)24-14(2)22-19(29)10-15(11-21(22)32-24)13-28-8-6-16(7-9-28)23-18-5-4-17(26)12-20(18)33-27-23/h4-5,12,15-16H,3,6-11,13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin human cloned serotonin 5HT2A receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 9.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50305655
(3-(6-(piperidin-1-yl)-9H-purin-2-yl)phenol | CHEMB...)Show InChI InChI=1S/C16H17N5O/c22-12-6-4-5-11(9-12)14-19-15-13(17-10-18-15)16(20-14)21-7-2-1-3-8-21/h4-6,9-10,22H,1-3,7-8H2,(H,17,18,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO-A1 cells incubated for 60 mins by scintillation counting method based radioligand c... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50521843
(CHEMBL4457537)Show InChI InChI=1S/C16H17N5O/c22-12-6-4-11(5-7-12)14-19-15-13(17-10-18-15)16(20-14)21-8-2-1-3-9-21/h4-7,10,22H,1-3,8-9H2,(H,17,18,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO-A1 cells incubated for 60 mins by scintillation counting method based radioligand c... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine human cloned serotonin 5HT2C receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50266829
(2-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-...)Show SMILES Clc1cccc(N2CCN(CCCCN3CCCc4ccccc4C3=O)CC2)c1Cl Show InChI InChI=1S/C24H29Cl2N3O/c25-21-10-5-11-22(23(21)26)28-17-15-27(16-18-28)12-3-4-13-29-14-6-8-19-7-1-2-9-20(19)24(29)30/h1-2,5,7,9-11H,3-4,6,8,12-18H2 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin) |
Bioorg Med Chem Lett 19: 1773-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.067
BindingDB Entry DOI: 10.7270/Q29W0FCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway
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PDB
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Patents
Similars
| DrugBank
Article
PubMed
| 10.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50409063
(CHEMBL143027 | QF-1004B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50412724
(CHEMBL516809 | QF-1068B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H25FN2O3/c28-20-6-7-21-26(14-20)33-29-27(21)19-8-10-30(11-9-19)16-17-12-23(31)22-15-24(32-25(22)13-17)18-4-2-1-3-5-18/h1-7,14-15,17,19H,8-13,16H2 | PDB
Reactome pathway
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| Article
PubMed
| 12.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50412726
(CHEMBL523680)Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m0/s1 | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50415880
(CHEMBL1097489)Show SMILES CCn1n2c(nc(O)c2c2ccccc2c1=O)-c1cccc(OCC=C)c1 Show InChI InChI=1S/C21H19N3O3/c1-3-12-27-15-9-7-8-14(13-15)19-22-20(25)18-16-10-5-6-11-17(16)21(26)23(4-2)24(18)19/h3,5-11,13,25H,1,4,12H2,2H3 | PDB
Reactome pathway
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CHEMBL
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PC sid
UniChem
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting |
Bioorg Med Chem 18: 3043-52 (2010)
Article DOI: 10.1016/j.bmc.2010.03.048
BindingDB Entry DOI: 10.7270/Q20V8F13 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50409063
(CHEMBL143027 | QF-1004B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 16.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50477628
(CHEMBL246488 | QF-4128B)Show SMILES Cn1ncc2c1CC(CN1CCC(CC1)c1noc3cc(F)ccc13)CC2=O Show InChI InChI=1S/C21H23FN4O2/c1-25-18-8-13(9-19(27)17(18)11-23-25)12-26-6-4-14(5-7-26)21-16-3-2-15(22)10-20(16)28-24-21/h2-3,10-11,13-14H,4-9,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin human cloned serotonin 5HT2A receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50477630
(CHEMBL391985 | QF-4218B)Show SMILES Cc1noc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12 Show InChI InChI=1S/C21H22FN3O3/c1-12-20-17(26)8-13(9-19(20)28-23-12)11-25-6-4-14(5-7-25)21-16-3-2-15(22)10-18(16)27-24-21/h2-3,10,13-14H,4-9,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin human cloned serotonin 5HT2A receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50412722
(CHEMBL494701 | QF-1064B)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3oc(cc3C(=O)C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H26FNO3/c28-22-8-6-20(7-9-22)27(31)21-10-12-29(13-11-21)17-18-14-24(30)23-16-25(32-26(23)15-18)19-4-2-1-3-5-19/h1-9,16,18,21H,10-15,17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 17.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50412721
(CHEMBL494702)Show SMILES CCOC(=O)c1oc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c2c1C Show InChI InChI=1S/C25H28FNO5/c1-3-31-25(30)24-15(2)22-20(28)12-16(13-21(22)32-24)14-27-10-8-18(9-11-27)23(29)17-4-6-19(26)7-5-17/h4-7,16,18H,3,8-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 21.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50412725
(CHEMBL493069)Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c12 Show InChI InChI=1S/C23H24FNO5/c1-29-23(28)18-13-30-20-11-14(10-19(26)21(18)20)12-25-8-6-16(7-9-25)22(27)15-2-4-17(24)5-3-15/h2-5,13-14,16H,6-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 25.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50409490
(CHEMBL159929 | QF-0702B)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H24FNO3/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50477626
(CHEMBL437007 | QF-4124B)Show SMILES Cn1ncc2c1CC(CN1CCC(CC1)C(=O)c1ccc(F)cc1)CC2=O Show InChI InChI=1S/C21H24FN3O2/c1-24-19-10-14(11-20(26)18(19)12-23-24)13-25-8-6-16(7-9-25)21(27)15-2-4-17(22)5-3-15/h2-5,12,14,16H,6-11,13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin human cloned serotonin 5HT2A receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50409500
(CHEMBL164471 | QF-0703B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50521839
(CHEMBL4581007)Show InChI InChI=1S/C16H17ClN6/c1-22-6-8-23(9-7-22)16-13-15(19-10-18-13)20-14(21-16)11-2-4-12(17)5-3-11/h2-5,10H,6-9H2,1H3,(H,18,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human A3 receptor expressed in HeLa-A3 cells incubated for 180 mins by scintillation counting method based radioligand ... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50521847
(CHEMBL4460517)Show SMILES CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H16Cl2N6/c1-23-4-6-24(7-5-23)16-13-15(20-9-19-13)21-14(22-16)10-2-3-11(17)12(18)8-10/h2-3,8-9H,4-7H2,1H3,(H,19,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human A3 receptor expressed in HeLa-A3 cells incubated for 180 mins by scintillation counting method based radioligand ... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50521845
(CHEMBL4451553)Show InChI InChI=1S/C16H16ClN5/c17-12-6-4-5-11(9-12)14-20-15-13(18-10-19-15)16(21-14)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8H2,(H,18,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human A3 receptor expressed in HeLa-A3 cells incubated for 180 mins by scintillation counting method based radioligand ... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50266828
(2-(4-(4-(4-methoxyphenyl)piperazin-1-yl)butyl)-2,3...)Show SMILES COc1ccc(cc1)N1CCN(CCCCN2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C25H33N3O2/c1-30-23-12-10-22(11-13-23)27-19-17-26(18-20-27)14-4-5-15-28-16-6-8-21-7-2-3-9-24(21)25(28)29/h2-3,7,9-13H,4-6,8,14-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor |
Bioorg Med Chem Lett 19: 1773-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.067
BindingDB Entry DOI: 10.7270/Q29W0FCP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50521843
(CHEMBL4457537)Show InChI InChI=1S/C16H17N5O/c22-12-6-4-11(5-7-12)14-19-15-13(17-10-18-15)16(20-14)21-8-2-1-3-9-21/h4-7,10,22H,1-3,8-9H2,(H,17,18,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human A3 receptor expressed in HeLa-A3 cells incubated for 180 mins by scintillation counting method based radioligand ... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50477631
(CHEMBL391984 | QF-4214B)Show SMILES Cc1noc2CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)CC(=O)c12 Show InChI InChI=1S/C21H23FN2O3/c1-13-20-18(25)10-14(11-19(20)27-23-13)12-24-8-6-16(7-9-24)21(26)15-2-4-17(22)5-3-15/h2-5,14,16H,6-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin human cloned serotonin 5HT2A receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50412727
(CHEMBL492689)Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r| Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50477629
(CHEMBL397543 | QF-4104B)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3[nH]ncc3C(=O)C2)CC1 Show InChI InChI=1S/C20H22FN3O2/c21-16-3-1-14(2-4-16)20(26)15-5-7-24(8-6-15)12-13-9-18-17(11-22-23-18)19(25)10-13/h1-4,11,13,15H,5-10,12H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin human cloned serotonin 5HT2A receptor |
Bioorg Med Chem Lett 17: 4873-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.045
BindingDB Entry DOI: 10.7270/Q2J38WCB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50409500
(CHEMBL164471 | QF-0703B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 45.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50521845
(CHEMBL4451553)Show InChI InChI=1S/C16H16ClN5/c17-12-6-4-5-11(9-12)14-20-15-13(18-10-19-15)16(21-14)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8H2,(H,18,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO-A1 cells incubated for 60 mins by scintillation counting method based radioligand c... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50409062
(CHEMBL143022 | QF-1003B)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3occc3C(=O)C2)CC1 Show InChI InChI=1S/C21H22FNO3/c22-17-3-1-15(2-4-17)21(25)16-5-8-23(9-6-16)13-14-11-19(24)18-7-10-26-20(18)12-14/h1-4,7,10,14,16H,5-6,8-9,11-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 52.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50305655
(3-(6-(piperidin-1-yl)-9H-purin-2-yl)phenol | CHEMB...)Show InChI InChI=1S/C16H17N5O/c22-12-6-4-5-11(9-12)14-19-15-13(17-10-18-15)16(20-14)21-7-2-1-3-8-21/h4-6,9-10,22H,1-3,7-8H2,(H,17,18,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human A3 receptor expressed in HeLa-A3 cells incubated for 180 mins by scintillation counting method based radioligand ... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50409490
(CHEMBL159929 | QF-0702B)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3occc3C2=O)CC1 Show InChI InChI=1S/C22H24FNO3/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
J Med Chem 51: 6085-94 (2008)
Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50521842
(CHEMBL4446836)Show InChI InChI=1S/C16H17ClN6/c1-22-5-7-23(8-6-22)16-13-15(19-10-18-13)20-14(21-16)11-3-2-4-12(17)9-11/h2-4,9-10H,5-8H2,1H3,(H,18,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO-A1 cells incubated for 60 mins by scintillation counting method based radioligand c... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50521846
(CHEMBL4518384)Show InChI InChI=1S/C16H15Cl2N5/c17-11-5-4-10(8-12(11)18)14-21-15-13(19-9-20-15)16(22-14)23-6-2-1-3-7-23/h4-5,8-9H,1-3,6-7H2,(H,19,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human A3 receptor expressed in HeLa-A3 cells incubated for 180 mins by scintillation counting method based radioligand ... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50521843
(CHEMBL4457537)Show InChI InChI=1S/C16H17N5O/c22-12-6-4-11(5-7-12)14-19-15-13(17-10-18-15)16(20-14)21-8-2-1-3-9-21/h4-7,10,22H,1-3,8-9H2,(H,17,18,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Minho
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human A2B receptor expressed in HEK-293-A2B cells incubated for 30 mins by scintillation counting method based radioli... |
Bioorg Med Chem 27: 3551-3558 (2019)
Article DOI: 10.1016/j.bmc.2019.06.034
BindingDB Entry DOI: 10.7270/Q20V8H7M |
More data for this
Ligand-Target Pair | |
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