Found 385 hits with Last Name = 'gregory' and Initial = 't' 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 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 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 | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289457
((R)-1-Phenoxy-3-(4-phenoxy-piperidin-1-yl)-propan-...)Show InChI InChI=1S/C20H25NO3/c22-17(16-23-18-7-3-1-4-8-18)15-21-13-11-20(12-14-21)24-19-9-5-2-6-10-19/h1-10,17,20,22H,11-16H2/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
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 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(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289448
(1-Phenoxy-3-(4-phenoxy-piperidin-1-yl)-propan-2-ol...)Show InChI InChI=1S/C20H25NO3/c22-17(16-23-18-7-3-1-4-8-18)15-21-13-11-20(12-14-21)24-19-9-5-2-6-10-19/h1-10,17,20,22H,11-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
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 | |
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)) | 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(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289452
((S)-1-Phenoxy-3-(4-phenoxy-piperidin-1-yl)-propan-...)Show InChI InChI=1S/C20H25NO3/c22-17(16-23-18-7-3-1-4-8-18)15-21-13-11-20(12-14-21)24-19-9-5-2-6-10-19/h1-10,17,20,22H,11-16H2/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
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)) | 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187923
(1,3-dihydro-1-phenyl-3-[[3-(trilfluoromethyl)pheny...)Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H/b25-19+ | Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human GAL3 |
J Med Chem 49: 3757-8 (2006)
Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B |
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
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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
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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(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289451
(1-(Naphthalen-1-yloxy)-3-(4-phenoxy-piperidin-1-yl...)Show InChI InChI=1S/C24H27NO3/c26-20(18-27-24-12-6-8-19-7-4-5-11-23(19)24)17-25-15-13-22(14-16-25)28-21-9-2-1-3-10-21/h1-12,20,22,26H,13-18H2 | PDB
Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289460
(1-(4-Benzyl-piperidin-1-yl)-3-(4-chloro-phenoxy)-p...)Show InChI InChI=1S/C21H26ClNO2/c22-19-6-8-21(9-7-19)25-16-20(24)15-23-12-10-18(11-13-23)14-17-4-2-1-3-5-17/h1-9,18,20,24H,10-16H2 | PDB
Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
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
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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
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| 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
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| 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(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289447
(1-(4-Benzyl-piperidin-1-yl)-3-(naphthalen-1-yloxy)...)Show InChI InChI=1S/C25H29NO2/c27-23(19-28-25-12-6-10-22-9-4-5-11-24(22)25)18-26-15-13-21(14-16-26)17-20-7-2-1-3-8-20/h1-12,21,23,27H,13-19H2 | PDB
Reactome pathway
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
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
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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(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289450
(1-(Naphthalen-1-yloxy)-3-(4-phenylsulfanyl-piperid...)Show InChI InChI=1S/C24H27NO2S/c26-20(18-27-24-12-6-8-19-7-4-5-11-23(19)24)17-25-15-13-22(14-16-25)28-21-9-2-1-3-10-21/h1-12,20,22,26H,13-18H2 | PDB
Reactome pathway
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| Article
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289456
(1-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-3-(naphthal...)Show SMILES OC(COc1cccc2ccccc12)CN1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H28FNO2/c26-22-10-8-19(9-11-22)16-20-12-14-27(15-13-20)17-23(28)18-29-25-7-3-5-21-4-1-2-6-24(21)25/h1-11,20,23,28H,12-18H2 | PDB
Reactome pathway
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289463
(1-(4-Benzyl-piperidin-1-yl)-3-phenoxy-propan-2-ol ...)Show InChI InChI=1S/C21H27NO2/c23-20(17-24-21-9-5-2-6-10-21)16-22-13-11-19(12-14-22)15-18-7-3-1-4-8-18/h1-10,19-20,23H,11-17H2 | PDB
Reactome pathway
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
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
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| 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 | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50289455
(1-[4-(4-Chloro-benzyl)-piperidin-1-yl]-3-(naphthal...)Show SMILES OC(COc1cccc2ccccc12)CN1CCC(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C25H28ClNO2/c26-22-10-8-19(9-11-22)16-20-12-14-27(15-13-20)17-23(28)18-29-25-7-3-5-21-4-1-2-6-24(21)25/h1-11,20,23,28H,12-18H2 | PDB
Reactome pathway
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement. |
Bioorg Med Chem Lett 7: 1377-1380 (1997)
Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG |
More data for this
Ligand-Target Pair | |
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