Found 135 hits with Last Name = 'messinger' and Initial = 'j' 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 6
(Homo sapiens (Human)) | BDBM50166849
(CHEMBL3797651)Show SMILES COc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N4O3S/c1-17(2)16-31(28,29)27-10-9-20-21(18-5-7-19(30-4)8-6-18)15-22(24-23(20)27)26-13-11-25(3)12-14-26/h5-10,15,17H,11-14,16H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166863
(CHEMBL3799529)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166852
(CHEMBL3797717)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3 | 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 |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166844
(CHEMBL3798478)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166859
(CHEMBL3799120)Show SMILES CC(C)S(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H25F3N4O2S/c1-15(2)32(30,31)29-9-8-18-19(16-4-6-17(7-5-16)22(23,24)25)14-20(26-21(18)29)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166861
(CHEMBL3799448)Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCOCC1 Show InChI InChI=1S/C26H23NO5/c1-14-3-4-17(11-15(14)2)21(28)13-32-26(31)16-7-9-20(10-8-16)27-24(29)22-18-5-6-19(12-18)23(22)25(27)30/h3-11,18-19,29-30H,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166846
(CHEMBL3797435)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C#N Show InChI InChI=1S/C23H27N5O2S/c1-17(2)16-31(29,30)28-9-8-20-21(19-6-4-18(15-24)5-7-19)14-22(25-23(20)28)27-12-10-26(3)11-13-27/h4-9,14,17H,10-13,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166862
(CHEMBL3798490)Show SMILES COCCS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H21NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11,25-26H,12H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166853
(CHEMBL3798953)Show SMILES CCc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N4O2S/c1-5-19-6-8-20(9-7-19)22-16-23(27-14-12-26(4)13-15-27)25-24-21(22)10-11-28(24)31(29,30)17-18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3 | 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 |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166856
(CHEMBL3800251)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cc(C)sc1C Show InChI InChI=1S/C22H30N4O2S2/c1-15(2)14-30(27,28)26-7-6-18-20(19-12-16(3)29-17(19)4)13-21(23-22(18)26)25-10-8-24(5)9-11-25/h6-7,12-13,15H,8-11,14H2,1-5H3 | 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 |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166860
(CHEMBL3799330)Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C25H29F3N4O2S/c1-30-13-15-31(16-14-30)23-17-22(18-7-9-19(10-8-18)25(26,27)28)21-11-12-32(24(21)29-23)35(33,34)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3 | 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 |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166854
(CHEMBL3799638)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1 Show InChI InChI=1S/C22H28N4O2S/c1-17(2)16-29(27,28)26-10-9-19-20(18-7-5-4-6-8-18)15-21(23-22(19)26)25-13-11-24(3)12-14-25/h4-10,15,17H,11-14,16H2,1-3H3 | 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 |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166849
(CHEMBL3797651)Show SMILES COc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N4O3S/c1-17(2)16-31(28,29)27-10-9-20-21(18-5-7-19(30-4)8-6-18)15-22(24-23(20)27)26-13-11-25(3)12-14-26/h5-10,15,17H,11-14,16H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166847
(CHEMBL3800539)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H28N4O3S/c1-16(2)15-30(28,29)26-9-8-19-20(17-4-6-18(27)7-5-17)14-21(23-22(19)26)25-12-10-24(3)11-13-25/h4-9,14,16,27H,10-13,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166850
(CHEMBL3799547)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-18-19(17-6-4-5-7-20(17)23(24,25)26)14-21(27-22(18)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166859
(CHEMBL3799120)Show SMILES CC(C)S(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H25F3N4O2S/c1-15(2)32(30,31)29-9-8-18-19(16-4-6-17(7-5-16)22(23,24)25)14-20(26-21(18)29)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166843
(CHEMBL3797293)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccnc1 Show InChI InChI=1S/C21H27N5O2S/c1-16(2)15-29(27,28)26-8-6-18-19(17-5-4-7-22-14-17)13-20(23-21(18)26)25-11-9-24(3)10-12-25/h4-8,13-14,16H,9-12,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166851
(CHEMBL3798840)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-8-7-19-20(17-5-4-6-18(13-17)23(24,25)26)14-21(27-22(19)30)29-11-9-28(3)10-12-29/h4-8,13-14,16H,9-12,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166862
(CHEMBL3798490)Show SMILES COCCS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H21NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11,25-26H,12H2,1-3H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166858
(CHEMBL3800153)Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(C)(=O)=O Show InChI InChI=1S/C20H21F3N4O2S/c1-25-9-11-26(12-10-25)18-13-17(14-3-5-15(6-4-14)20(21,22)23)16-7-8-27(19(16)24-18)30(2,28)29/h3-8,13H,9-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166848
(CHEMBL3800150)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C29H34N4O3S/c1-22(2)21-37(34,35)33-14-13-26-27(19-28(30-29(26)33)32-17-15-31(3)16-18-32)24-9-11-25(12-10-24)36-20-23-7-5-4-6-8-23/h4-14,19,22H,15-18,20-21H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166855
(CHEMBL3800576)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cnn(C)c1 Show InChI InChI=1S/C20H28N6O2S/c1-15(2)14-29(27,28)26-6-5-17-18(16-12-21-24(4)13-16)11-19(22-20(17)26)25-9-7-23(3)8-10-25/h5-6,11-13,15H,7-10,14H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166847
(CHEMBL3800539)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H28N4O3S/c1-16(2)15-30(28,29)26-9-8-19-20(17-4-6-18(27)7-5-17)14-21(23-22(19)26)25-12-10-24(3)11-13-25/h4-9,14,16,27H,10-13,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166850
(CHEMBL3799547)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-18-19(17-6-4-5-7-20(17)23(24,25)26)14-21(27-22(18)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166857
(CHEMBL3800055)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1c(C)noc1C |(.88,-6.25,;1.7,-5.33,;2.91,-5.58,;1.22,-3.86,;2.25,-2.71,;3.46,-2.96,;2.64,-3.88,;1.77,-1.24,;2.67,.02,;1.77,1.24,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,;-3.73,-1.54,;-3.73,-3.09,;-5.07,-3.85,;-6.41,-3.08,;-7.48,-3.69,;-6.4,-1.53,;-5.06,-.76,;-1.03,3.1,;.22,4,;1.39,3.61,;-.27,5.46,;-1.81,5.46,;-2.28,3.99,;-3.45,3.59,)| Show InChI InChI=1S/C21H29N5O3S/c1-14(2)13-30(27,28)26-7-6-17-18(20-15(3)23-29-16(20)4)12-19(22-21(17)26)25-10-8-24(5)9-11-25/h6-7,12,14H,8-11,13H2,1-5H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166846
(CHEMBL3797435)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C#N Show InChI InChI=1S/C23H27N5O2S/c1-17(2)16-31(29,30)28-9-8-20-21(19-6-4-18(15-24)5-7-19)14-22(25-23(20)28)27-12-10-26(3)11-13-27/h4-9,14,17H,10-13,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 205 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166842
(CHEMBL3800442)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C21H27N5O3S/c1-15(2)14-30(28,29)26-7-6-17-18(16-4-5-20(27)22-13-16)12-19(23-21(17)26)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166848
(CHEMBL3800150)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C29H34N4O3S/c1-22(2)21-37(34,35)33-14-13-26-27(19-28(30-29(26)33)32-17-15-31(3)16-18-32)24-9-11-25(12-10-24)36-20-23-7-5-4-6-8-23/h4-14,19,22H,15-18,20-21H2,1-3H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166852
(CHEMBL3797717)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 367 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166844
(CHEMBL3798478)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3 | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 382 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166854
(CHEMBL3799638)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1 Show InChI InChI=1S/C22H28N4O2S/c1-17(2)16-29(27,28)26-10-9-19-20(18-7-5-4-6-8-18)15-21(23-22(19)26)25-13-11-24(3)12-14-25/h4-10,15,17H,11-14,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 547 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166853
(CHEMBL3798953)Show SMILES CCc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N4O2S/c1-5-19-6-8-20(9-7-19)22-16-23(27-14-12-26(4)13-15-27)25-24-21(22)10-11-28(24)31(29,30)17-18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 614 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166851
(CHEMBL3798840)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-8-7-19-20(17-5-4-6-18(13-17)23(24,25)26)14-21(27-22(19)30)29-11-9-28(3)10-12-29/h4-8,13-14,16H,9-12,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166856
(CHEMBL3800251)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cc(C)sc1C Show InChI InChI=1S/C22H30N4O2S2/c1-15(2)14-30(27,28)26-7-6-18-20(19-12-16(3)29-17(19)4)13-21(23-22(18)26)25-10-8-24(5)9-11-25/h6-7,12-13,15H,8-11,14H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166858
(CHEMBL3800153)Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(C)(=O)=O Show InChI InChI=1S/C20H21F3N4O2S/c1-25-9-11-26(12-10-25)18-13-17(14-3-5-15(6-4-14)20(21,22)23)16-7-8-27(19(16)24-18)30(2,28)29/h3-8,13H,9-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166863
(CHEMBL3799529)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166842
(CHEMBL3800442)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C21H27N5O3S/c1-15(2)14-30(28,29)26-7-6-17-18(16-4-5-20(27)22-13-16)12-19(23-21(17)26)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27) | PDB
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166855
(CHEMBL3800576)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cnn(C)c1 Show InChI InChI=1S/C20H28N6O2S/c1-15(2)14-29(27,28)26-6-5-17-18(16-12-21-24(4)13-16)11-19(22-20(17)26)25-9-7-23(3)8-10-25/h5-6,11-13,15H,7-10,14H2,1-4H3 | PDB
Reactome pathway
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166845
(CHEMBL3799430)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C25H33N5O3S/c1-18(2)17-34(32,33)30-11-10-21-22(19-6-8-20(9-7-19)25(31)27(3)4)16-23(26-24(21)30)29-14-12-28(5)13-15-29/h6-11,16,18H,12-15,17H2,1-5H3 | PDB
Reactome pathway
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166857
(CHEMBL3800055)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1c(C)noc1C |(.88,-6.25,;1.7,-5.33,;2.91,-5.58,;1.22,-3.86,;2.25,-2.71,;3.46,-2.96,;2.64,-3.88,;1.77,-1.24,;2.67,.02,;1.77,1.24,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,;-3.73,-1.54,;-3.73,-3.09,;-5.07,-3.85,;-6.41,-3.08,;-7.48,-3.69,;-6.4,-1.53,;-5.06,-.76,;-1.03,3.1,;.22,4,;1.39,3.61,;-.27,5.46,;-1.81,5.46,;-2.28,3.99,;-3.45,3.59,)| Show InChI InChI=1S/C21H29N5O3S/c1-14(2)13-30(27,28)26-7-6-17-18(20-15(3)23-29-16(20)4)12-19(22-21(17)26)25-10-8-24(5)9-11-25/h6-7,12,14H,8-11,13H2,1-5H3 | PDB
Reactome pathway
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166843
(CHEMBL3797293)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccnc1 Show InChI InChI=1S/C21H27N5O2S/c1-16(2)15-29(27,28)26-8-6-18-19(17-5-4-7-22-14-17)13-20(23-21(18)26)25-11-9-24(3)10-12-25/h4-8,13-14,16H,9-12,15H2,1-3H3 | PDB
Reactome pathway
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50166845
(CHEMBL3799430)Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C25H33N5O3S/c1-18(2)17-34(32,33)30-11-10-21-22(19-6-8-20(9-7-19)25(31)27(3)4)16-23(26-24(21)30)29-14-12-28(5)13-15-29/h6-11,16,18H,12-15,17H2,1-5H3 | PDB
Reactome pathway
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166861
(CHEMBL3799448)Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCOCC1 Show InChI InChI=1S/C26H23NO5/c1-14-3-4-17(11-15(14)2)21(28)13-32-26(31)16-7-9-20(10-8-16)27-24(29)22-18-5-6-19(12-18)23(22)25(27)30/h3-11,18-19,29-30H,12-13H2,1-2H3 | PDB
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50166860
(CHEMBL3799330)Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C25H29F3N4O2S/c1-30-13-15-31(16-14-30)23-17-22(18-7-9-19(10-8-18)25(26,27)28)21-11-12-32(24(21)29-23)35(33,34)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3 | PDB
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UniChem
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method |
Bioorg Med Chem Lett 26: 2610-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48 |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103345
(US8546392, 69)Show SMILES COc1ccc2cc(ccc2c1)-c1cc(OC)cc(c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C25H21NO3/c1-28-23-11-10-17-12-18(8-9-19(17)14-23)20-13-21(16-24(15-20)29-2)25(27)26-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description
The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103342
(US8546392, 64)Show InChI InChI=1S/C20H19NO3/c1-13(22)21-19-9-7-17(12-20(19)24-3)14-4-5-16-11-18(23-2)8-6-15(16)10-14/h4-12H,1-3H3,(H,21,22) | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description
The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50121975
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | PDB
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Article
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 51: 2158-69 (2008)
Article DOI: 10.1021/jm701447v
BindingDB Entry DOI: 10.7270/Q29G5NPZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM103338
(US8546392, 59)Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32) | PDB
MMDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description
Inhibition assay using P450 CYP enzymes. |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50261942
(6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol | CHEMBL46...)Show InChI InChI=1S/C22H16O2/c23-19-8-4-7-16(14-19)17-9-11-20-18(13-17)10-12-21(24)22(20)15-5-2-1-3-6-15/h1-14,23-24H | PDB
MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placental 17beta-HSD1 assessed as conversion of [3H]estrone to [3H]17beta-estradiol |
J Med Chem 51: 4685-98 (2008)
Article DOI: 10.1021/jm800367k
BindingDB Entry DOI: 10.7270/Q29S1QVM |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103336
(US8546392, 57)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H23NO3/c28-23-3-1-2-19(17-23)20-6-10-24-21(16-20)7-11-25(29)26(24)18-4-8-22(9-5-18)27-12-14-30-15-13-27/h1-11,16-17,28-29H,12-15H2 | PDB
MMDB
Reactome pathway
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description
The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this
Ligand-Target Pair | |
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