Found 893 hits with Last Name = 'walters' and Initial = 'ma' 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)) | BDBM50171676
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(Cl)cc12 Show InChI InChI=1S/C23H25ClN4OS/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)30-26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171681
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12 Show InChI InChI=1S/C24H28N4OS/c1-16-7-8-18(23-22(16)17(2)15-21(29)25-23)9-10-27-11-13-28(14-12-27)24-19-5-3-4-6-20(19)30-26-24/h3-8,17H,9-15H2,1-2H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171679
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1CC(=O)N(C)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C24H28N4OS/c1-17-16-22(29)26(2)23-18(6-5-8-19(17)23)10-11-27-12-14-28(15-13-27)24-20-7-3-4-9-21(20)30-25-24/h3-9,17H,10-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171667
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12 Show InChI InChI=1S/C23H25FN4OS/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)30-26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171663
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES O=C1CC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2N1 Show InChI InChI=1S/C28H28N4OS/c33-26-19-24(20-7-2-1-3-8-20)22-11-6-9-21(27(22)29-26)13-14-31-15-17-32(18-16-31)28-23-10-4-5-12-25(23)34-30-28/h1-12,24H,13-19H2,(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171664
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C24H30N4S/c1-24(2)11-12-25-22-18(6-5-8-20(22)24)10-13-27-14-16-28(17-15-27)23-19-7-3-4-9-21(19)29-26-23/h3-9,25H,10-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171683
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C23H26N4OS/c1-16-15-21(28)24-22-17(5-4-7-18(16)22)9-10-26-11-13-27(14-12-26)23-19-6-2-3-8-20(19)29-25-23/h2-8,16H,9-15H2,1H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171668
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12 Show InChI InChI=1S/C24H29FN4S/c1-24(2)8-9-26-22-17(15-18(25)16-20(22)24)7-10-28-11-13-29(14-12-28)23-19-5-3-4-6-21(19)30-27-23/h3-6,15-16,26H,7-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171674
(8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethy...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cc(F)cc12 Show InChI InChI=1S/C23H25FN4O2/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)30-26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171666
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES O=C1CCc2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2N1 Show InChI InChI=1S/C22H24N4OS/c27-20-9-8-16-4-3-5-17(21(16)23-20)10-11-25-12-14-26(15-13-25)22-18-6-1-2-7-19(18)28-24-22/h1-7H,8-15H2,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171678
(8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethy...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cc(C)cc12 Show InChI InChI=1S/C24H28N4O2/c1-16-13-18(23-20(14-16)17(2)15-22(29)25-23)7-8-27-9-11-28(12-10-27)24-19-5-3-4-6-21(19)30-26-24/h3-6,13-14,17H,7-12,15H2,1-2H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171659
(1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-e...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)cc(F)cc12 Show InChI InChI=1S/C25H29FN4O2/c1-17-7-10-30(18(2)31)24-19(15-20(26)16-22(17)24)8-9-28-11-13-29(14-12-28)25-21-5-3-4-6-23(21)32-27-25/h3-6,15-17H,7-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171669
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C25H30N4OS/c1-18-10-13-29(19(2)30)24-20(6-5-8-21(18)24)11-12-27-14-16-28(17-15-27)25-22-7-3-4-9-23(22)31-26-25/h3-9,18H,10-17H2,1-2H3 | 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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171682
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(Cl)cc12 Show InChI InChI=1S/C25H29ClN4OS/c1-17-7-10-30(18(2)31)24-19(15-20(26)16-22(17)24)8-9-28-11-13-29(14-12-28)25-21-5-3-4-6-23(21)32-27-25/h3-6,15-17H,7-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171675
(1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-e...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)ccc(C)c12 Show InChI InChI=1S/C26H32N4O2/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3 | 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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171660
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12 Show InChI InChI=1S/C25H29FN4OS/c1-17-7-10-30(18(2)31)24-19(15-20(26)16-22(17)24)8-9-28-11-13-29(14-12-28)25-21-5-3-4-6-23(21)32-27-25/h3-6,15-17H,7-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50426499
(CHEMBL2323581)Show SMILES COC(OC)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r| Show InChI InChI=1S/C19H26N2O2/c1-20-10-12-9-17-15(14-6-5-7-16(20)18(12)14)8-13(11-21(17)2)19(22-3)23-4/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 254-258 (2013)
Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171662
(CHEMBL197677 | {8-[2-(4-Benzo[d]isothiazol-3-yl-pi...)Show SMILES CC1CCN(C(=O)C2CCCCC2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C30H38N4OS/c1-22-14-17-34(30(35)24-8-3-2-4-9-24)28-23(10-7-12-25(22)28)15-16-32-18-20-33(21-19-32)29-26-11-5-6-13-27(26)36-31-29/h5-7,10-13,22,24H,2-4,8-9,14-21H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171665
(CHEMBL194953 | {8-[2-(4-Benzo[d]isothiazol-3-yl-pi...)Show SMILES CC1CCN(C(=O)c2ccccc2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C30H32N4OS/c1-22-14-17-34(30(35)24-8-3-2-4-9-24)28-23(10-7-12-25(22)28)15-16-32-18-20-33(21-19-32)29-26-11-5-6-13-27(26)36-31-29/h2-13,22H,14-21H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171673
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12 Show InChI InChI=1S/C26H32N4OS/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50426500
(CHEMBL2323580)Show SMILES CN(C)CCCNC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r| Show InChI InChI=1S/C22H32N4O/c1-24(2)10-6-9-23-22(27)16-11-18-17-7-5-8-19-21(17)15(13-25(19)3)12-20(18)26(4)14-16/h5,7-8,13,16,18,20H,6,9-12,14H2,1-4H3,(H,23,27)/t16-,18-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 254-258 (2013)
Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50426498
(1,6-Dimethylcabergoline | CHEMBL2323579)Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r| Show InChI InChI=1S/C25H37N5O2/c1-6-26-25(32)30(12-8-11-27(2)3)24(31)18-13-20-19-9-7-10-21-23(19)17(15-28(21)4)14-22(20)29(5)16-18/h7,9-10,15,18,20,22H,6,8,11-14,16H2,1-5H3,(H,26,32)/t18-,20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 254-258 (2013)
Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171672
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1Cc2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2NC1=O Show InChI InChI=1S/C23H26N4OS/c1-16-15-18-6-4-5-17(21(18)24-23(16)28)9-10-26-11-13-27(14-12-26)22-19-7-2-3-8-20(19)29-25-22/h2-8,16H,9-15H2,1H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171671
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES COc1cccc(CC(=O)N2CCC(C)c3cccc(CCN4CCN(CC4)c4nsc5ccccc45)c23)c1 Show InChI InChI=1S/C32H36N4O2S/c1-23-13-16-36(30(37)22-24-7-5-9-26(21-24)38-2)31-25(8-6-11-27(23)31)14-15-34-17-19-35(20-18-34)32-28-10-3-4-12-29(28)39-33-32/h3-12,21,23H,13-20,22H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171680
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12 Show InChI InChI=1S/C33H38N4O3S/c1-23-14-17-37(31(38)22-27-28(39-2)11-7-12-29(27)40-3)32-24(8-6-10-25(23)32)15-16-35-18-20-36(21-19-35)33-26-9-4-5-13-30(26)41-34-33/h4-13,23H,14-22H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50426497
(CABERGOLINE | Dostinex | FCE-21336)Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 |r| Show InChI InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 254-258 (2013)
Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171661
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12 Show InChI InChI=1S/C30H32N4OS/c1-22(35)34-17-15-25(23-8-3-2-4-9-23)26-12-7-10-24(29(26)34)14-16-32-18-20-33(21-19-32)30-27-11-5-6-13-28(27)36-31-30/h2-13,25H,14-21H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50070181
(1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...)Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 Show InChI InChI=1S/C24H35N5O2/c1-5-25-24(31)29(11-7-10-27(2)3)23(30)17-12-19-18-8-6-9-20-22(18)16(14-26-20)13-21(19)28(4)15-17/h6,8-9,14,17,19,21,26H,5,7,10-13,15H2,1-4H3,(H,25,31)/t17-,19-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 254-258 (2013)
Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50171670
(6-Fluoro-4-methyl-8-{2-[4-(1-oxo-1H-1lambda*4*-ben...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3ns(=O)c4ccccc34)cc(F)cc12 Show InChI InChI=1S/C23H25FN4O2S/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)31(30)26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171671
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES COc1cccc(CC(=O)N2CCC(C)c3cccc(CCN4CCN(CC4)c4nsc5ccccc45)c23)c1 Show InChI InChI=1S/C32H36N4O2S/c1-23-13-16-36(30(37)22-24-7-5-9-26(21-24)38-2)31-25(8-6-11-27(23)31)14-15-34-17-19-35(20-18-34)32-28-10-3-4-12-29(28)39-33-32/h3-12,21,23H,13-20,22H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50426501
(CHEMBL2323578)Show SMILES CCNC(=O)N(CCCN1CCOCC1)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 |r| Show InChI InChI=1S/C28H39N5O3/c1-3-9-32-19-21(16-23-22-7-5-8-24-26(22)20(18-30-24)17-25(23)32)27(34)33(28(35)29-4-2)11-6-10-31-12-14-36-15-13-31/h3,5,7-8,18,21,23,25,30H,1,4,6,9-17,19H2,2H3,(H,29,35)/t21-,23-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 254-258 (2013)
Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171681
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12 Show InChI InChI=1S/C24H28N4OS/c1-16-7-8-18(23-22(16)17(2)15-21(29)25-23)9-10-27-11-13-28(14-12-27)24-19-5-3-4-6-20(19)30-26-24/h3-8,17H,9-15H2,1-2H3,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171680
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12 Show InChI InChI=1S/C33H38N4O3S/c1-23-14-17-37(31(38)22-27-28(39-2)11-7-12-29(27)40-3)32-24(8-6-10-25(23)32)15-16-35-18-20-36(21-19-35)33-26-9-4-5-13-30(26)41-34-33/h4-13,23H,14-22H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171673
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)ccc(C)c12 Show InChI InChI=1S/C26H32N4OS/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171661
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12 Show InChI InChI=1S/C30H32N4OS/c1-22(35)34-17-15-25(23-8-3-2-4-9-23)26-12-7-10-24(29(26)34)14-16-32-18-20-33(21-19-32)30-27-11-5-6-13-28(27)36-31-30/h2-13,25H,14-21H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171663
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES O=C1CC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c2N1 Show InChI InChI=1S/C28H28N4OS/c33-26-19-24(20-7-2-1-3-8-20)22-11-6-9-21(27(22)29-26)13-14-31-15-17-32(18-16-31)28-23-10-4-5-12-25(23)34-30-28/h1-12,24H,13-19H2,(H,29,33) | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171667
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12 Show InChI InChI=1S/C23H25FN4OS/c1-15-12-21(29)25-22-16(13-17(24)14-19(15)22)6-7-27-8-10-28(11-9-27)23-18-4-2-3-5-20(18)30-26-23/h2-5,13-15H,6-12H2,1H3,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171665
(CHEMBL194953 | {8-[2-(4-Benzo[d]isothiazol-3-yl-pi...)Show SMILES CC1CCN(C(=O)c2ccccc2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C30H32N4OS/c1-22-14-17-34(30(35)24-8-3-2-4-9-24)28-23(10-7-12-25(22)28)15-16-32-18-20-33(21-19-32)29-26-11-5-6-13-27(26)36-31-29/h2-13,22H,14-21H2,1H3 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171669
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C25H30N4OS/c1-18-10-13-29(19(2)30)24-20(6-5-8-21(18)24)11-12-27-14-16-28(17-15-27)25-22-7-3-4-9-23(22)31-26-25/h3-9,18H,10-17H2,1-2H3 | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171675
(1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-e...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)ccc(C)c12 Show InChI InChI=1S/C26H32N4O2/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171660
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12 Show InChI InChI=1S/C25H29FN4OS/c1-17-7-10-30(18(2)31)24-19(15-20(26)16-22(17)24)8-9-28-11-13-29(14-12-28)25-21-5-3-4-6-23(21)32-27-25/h3-6,15-17H,7-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171683
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C23H26N4OS/c1-16-15-21(28)24-22-17(5-4-7-18(16)22)9-10-26-11-13-27(14-12-26)23-19-6-2-3-8-20(19)29-25-23/h2-8,16H,9-15H2,1H3,(H,24,28) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171662
(CHEMBL197677 | {8-[2-(4-Benzo[d]isothiazol-3-yl-pi...)Show SMILES CC1CCN(C(=O)C2CCCCC2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C30H38N4OS/c1-22-14-17-34(30(35)24-8-3-2-4-9-24)28-23(10-7-12-25(22)28)15-16-32-18-20-33(21-19-32)29-26-11-5-6-13-27(26)36-31-29/h5-7,10-13,22,24H,2-4,8-9,14-21H2,1H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171659
(1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-e...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)cc(F)cc12 Show InChI InChI=1S/C25H29FN4O2/c1-17-7-10-30(18(2)31)24-19(15-20(26)16-22(17)24)8-9-28-11-13-29(14-12-28)25-21-5-3-4-6-23(21)32-27-25/h3-6,15-17H,7-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171678
(8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethy...)Show SMILES CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cc(C)cc12 Show InChI InChI=1S/C24H28N4O2/c1-16-13-18(23-20(14-16)17(2)15-22(29)25-23)7-8-27-9-11-28(12-10-27)24-19-5-3-4-6-21(19)30-26-24/h3-6,13-14,17H,7-12,15H2,1-2H3,(H,25,29) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM60994
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cells incubated for 1 hr by liquid scintillation spectrometry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00724
BindingDB Entry DOI: 10.7270/Q2697778 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM60994
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cells incubated for 1 hr by liquid scintillation spectrometry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00724
BindingDB Entry DOI: 10.7270/Q2697778 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171682
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(Cl)cc12 Show InChI InChI=1S/C25H29ClN4OS/c1-17-7-10-30(18(2)31)24-19(15-20(26)16-22(17)24)8-9-28-11-13-29(14-12-28)25-21-5-3-4-6-23(21)32-27-25/h3-6,15-17H,7-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171668
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12 Show InChI InChI=1S/C24H29FN4S/c1-24(2)8-9-26-22-17(15-18(25)16-20(22)24)7-10-28-11-13-29(14-12-28)23-19-5-3-4-6-21(19)30-27-23/h3-6,15-16,26H,7-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50171664
(8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C24H30N4S/c1-24(2)11-12-25-22-18(6-5-8-20(22)24)10-13-27-14-16-28(17-15-27)23-19-7-3-4-9-21(19)29-26-23/h3-9,25H,10-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4560-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ |
More data for this
Ligand-Target Pair | |
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