Found 873 hits with Last Name = 'singer' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | 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)) | 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)) | 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)) | 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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067740
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC#N |t:1| Show InChI InChI=1S/C24H33NO2/c1-16-9-10-19-18(13-16)22-20(26)14-17(15-21(22)27-24(19,4)5)23(2,3)11-7-6-8-12-25/h9,14-15,18-19,26H,6-8,10-11,13H2,1-5H3/t18-,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067742
(7-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCCC#N |t:1| Show InChI InChI=1S/C25H35NO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-12,14H2,1-5H3/t19-,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28586
(1-{3-[(3-chlorophenyl)methoxy]-2-methylphenyl}pipe...)Show InChI InChI=1S/C18H21ClN2O/c1-14-17(21-10-8-20-9-11-21)6-3-7-18(14)22-13-15-4-2-5-16(19)12-15/h2-7,12,20H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | -52.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
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 6
(Homo sapiens (Human)) | BDBM28583
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.660 | -51.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067735
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067741
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CN(C)C(=O)CCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C26H39NO3/c1-17-11-12-20-19(14-17)24-21(28)15-18(16-22(24)30-26(20,4)5)25(2,3)13-9-8-10-23(29)27(6)7/h11,15-16,19-20,28H,8-10,12-14H2,1-7H3/t19-,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067730
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(=O)NN1CCCCC1 |t:1| Show InChI InChI=1S/C29H44N2O3/c1-20-12-13-23-22(17-20)27-24(32)18-21(19-25(27)34-29(23,4)5)28(2,3)14-8-7-11-26(33)30-31-15-9-6-10-16-31/h12,18-19,22-23,32H,6-11,13-17H2,1-5H3,(H,30,33)/t22-,23-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
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 6
(Homo sapiens (Human)) | BDBM28584
(1-[3-(benzyloxy)-2-methylphenyl]piperazine | tolyl...)Show InChI InChI=1S/C18H22N2O/c1-15-17(20-12-10-19-11-13-20)8-5-9-18(15)21-14-16-6-3-2-4-7-16/h2-9,19H,10-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | -50.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28635
(2-methyl-3-(piperidin-4-yl)phenyl naphthalene-1-su...)Show SMILES Cc1c(OS(=O)(=O)c2cccc3ccccc23)cccc1C1CCNCC1 Show InChI InChI=1S/C22H23NO3S/c1-16-19(18-12-14-23-15-13-18)9-5-10-21(16)26-27(24,25)22-11-4-7-17-6-2-3-8-20(17)22/h2-11,18,23H,12-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | -50.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
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 | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28620
(2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-met...)Show SMILES Cc1c(OC(c2cccc(Cl)c2)C(F)(F)F)nccc1C1CCNCC1 Show InChI InChI=1S/C19H20ClF3N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | -49.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28594
(4-{3-[(3-fluorophenyl)methoxy]-2-methylphenyl}pipe...)Show InChI InChI=1S/C19H22FNO/c1-14-18(16-8-10-21-11-9-16)6-3-7-19(14)22-13-15-4-2-5-17(20)12-15/h2-7,12,16,21H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | -48.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28636
(2-methyl-3-(piperidin-4-yl)phenyl naphthalene-2-su...)Show SMILES Cc1c(OS(=O)(=O)c2ccc3ccccc3c2)cccc1C1CCNCC1 Show InChI InChI=1S/C22H23NO3S/c1-16-21(18-11-13-23-14-12-18)7-4-8-22(16)26-27(24,25)20-10-9-17-5-2-3-6-19(17)15-20/h2-10,15,18,23H,11-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | -48.9 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28603
(4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylpheny...)Show SMILES C[C@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C20H24ClNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | -48.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50278848
(4-(4-{[beta-D-galactopyranosyl]sulfinylmethyl}-1-H...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C15H20N4O8S2/c16-29(25,26)10-3-1-9(2-4-10)19-5-8(17-18-19)7-28(24)15-14(23)13(22)12(21)11(6-20)27-15/h1-5,11-15,20-23H,6-7H2,(H2,16,25,26)/t11-,12+,13+,14-,15+,28?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 2273-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.086
BindingDB Entry DOI: 10.7270/Q2QF8TSW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067737
(4-(5-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCOc1ccc(cc1)C#N |t:1| Show InChI InChI=1S/C30H37NO3/c1-20-8-13-25-24(16-20)28-26(32)17-22(18-27(28)34-30(25,4)5)29(2,3)14-6-7-15-33-23-11-9-21(19-31)10-12-23/h8-12,17-18,24-25,32H,6-7,13-16H2,1-5H3/t24-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
DrugBank
MCE
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MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 2273-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.086
BindingDB Entry DOI: 10.7270/Q2QF8TSW |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 2273-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.086
BindingDB Entry DOI: 10.7270/Q2QF8TSW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28595
(4-{3-[(3-chlorophenyl)methoxy]-2-methylphenyl}pipe...)Show InChI InChI=1S/C19H22ClNO/c1-14-18(16-8-10-21-11-9-16)6-3-7-19(14)22-13-15-4-2-5-17(20)12-15/h2-7,12,16,21H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | -47.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10884
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 2273-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.086
BindingDB Entry DOI: 10.7270/Q2QF8TSW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28623
(4-[3-(3-chlorophenoxymethyl)-2-methylphenyl]piperi...)Show InChI InChI=1S/C19H22ClNO/c1-14-16(13-22-18-6-3-5-17(20)12-18)4-2-7-19(14)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | -48.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
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
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UniChem
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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 6
(Homo sapiens (Human)) | BDBM28621
(3-methyl-4-(piperidin-4-yl)-2-[2,2,2-trifluoro-1-(...)Show InChI InChI=1S/C19H20F4N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3 | PDB
Reactome pathway
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| PC cid
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UniChem
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| Article
PubMed
| 4.30 | -47.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50278700
(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyra...)Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C23H28N4O11S2/c1-12(28)34-10-19-20(35-13(2)29)21(36-14(3)30)22(37-15(4)31)23(38-19)39-11-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20-,21+,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 2273-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.086
BindingDB Entry DOI: 10.7270/Q2QF8TSW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50278783
(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C23H28N4O13S2/c1-12(28)36-10-19-20(37-13(2)29)21(38-14(3)30)22(39-15(4)31)23(40-19)41(32,33)11-16-9-27(26-25-16)17-5-7-18(8-6-17)42(24,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,24,34,35)/t19-,20+,21+,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 2273-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.086
BindingDB Entry DOI: 10.7270/Q2QF8TSW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50278779
(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyra...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C23H28N4O12S2/c1-12(28)35-10-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)40(32)11-16-9-27(26-25-16)17-5-7-18(8-6-17)41(24,33)34/h5-9,19-23H,10-11H2,1-4H3,(H2,24,33,34)/t19-,20-,21+,22-,23+,40?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 2273-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.086
BindingDB Entry DOI: 10.7270/Q2QF8TSW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50278844
(4-(4-{[beta-D-glucopyranosyl]thiomethyl}-1-H-1,2,3...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C15H20N4O7S2/c16-28(24,25)10-3-1-9(2-4-10)19-5-8(17-18-19)7-27-15-14(23)13(22)12(21)11(6-20)26-15/h1-5,11-15,20-23H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 2273-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.086
BindingDB Entry DOI: 10.7270/Q2QF8TSW |
More data for this
Ligand-Target Pair | |
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