Found 417 hits with Last Name = 'rinaldi' 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 |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM21280
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 284: 644-50 (1998)
BindingDB Entry DOI: 10.7270/Q2D50KHT |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002630
(CHEMBL377174)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:21| Show InChI InChI=1S/C25H30N2O3/c1-19-6-8-20(9-7-19)22-12-15-27(25(22)28)21-10-11-23(29-2)24(18-21)30-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50171290
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-Synthelabo Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 905-14 (2004)
Article DOI: 10.1124/jpet.104.067884 BindingDB Entry DOI: 10.7270/Q2RR1WTX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21280
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 284: 644-50 (1998)
BindingDB Entry DOI: 10.7270/Q2D50KHT |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002616
(CHEMBL213839)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(F)c1 |c:21| Show InChI InChI=1S/C24H27FN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002642
(CHEMBL213987)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21| Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-6-18(16-23(22)31-14-13-27-10-3-2-4-11-27)28-12-9-19(24(28)29)17-5-7-20(25)21(26)15-17/h5-9,15-16H,2-4,10-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002678
(CHEMBL210053)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:21| Show InChI InChI=1S/C24H27BrN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002663
(CHEMBL386332)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:22| Show InChI InChI=1S/C26H32N2O3/c1-19-4-6-21(7-5-19)23-12-15-28(26(23)29)22-8-9-24(30-3)25(18-22)31-17-16-27-13-10-20(2)11-14-27/h4-9,12,18,20H,10-11,13-17H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002664
(CHEMBL212270)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:21| Show InChI InChI=1S/C24H27ClN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002689
(CHEMBL209573)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:22| Show InChI InChI=1S/C25H28Cl2N2O3/c1-17-7-10-28(11-8-17)13-14-32-24-16-19(4-6-23(24)31-2)29-12-9-20(25(29)30)18-3-5-21(26)22(27)15-18/h3-6,9,15-17H,7-8,10-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002668
(CHEMBL215864)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:22| Show InChI InChI=1S/C25H29FN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50171290
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-Synthelabo Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 905-14 (2004)
Article DOI: 10.1124/jpet.104.067884 BindingDB Entry DOI: 10.7270/Q2RR1WTX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002632
(CHEMBL376962)Show SMILES COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23| Show InChI InChI=1S/C26H30Cl2N2O3/c1-26(2)9-12-29(13-10-26)14-15-33-24-17-19(5-7-23(24)32-3)30-11-8-20(25(30)31)18-4-6-21(27)22(28)16-18/h4-8,16-17H,9-15H2,1-3H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002685
(CHEMBL211850)Show SMILES COc1ccc(cc1OCCN1CCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C23H24Cl2N2O3/c1-29-21-7-5-17(15-22(21)30-13-12-26-9-2-3-10-26)27-11-8-18(23(27)28)16-4-6-19(24)20(25)14-16/h4-8,14-15H,2-3,9-13H2,1H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002625
(CHEMBL209432)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:22| Show InChI InChI=1S/C25H29BrN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002669
(CHEMBL212769)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H32Cl2N2O3/c1-18-8-11-29(12-9-18)14-15-33-24-17-20(5-7-23(24)32-3)30-13-10-26(2,25(30)31)19-4-6-21(27)22(28)16-19/h4-7,16-18H,8-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002646
(CHEMBL210007)Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1ccc(Cl)c(Cl)c1 |t:19| Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-9,15-16H,2-4,10-14H2,1H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002687
(CHEMBL214398)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H30Cl2N2O3/c1-25(18-6-8-20(26)21(27)16-18)10-13-29(24(25)30)19-7-9-22(31-2)23(17-19)32-15-14-28-11-4-3-5-12-28/h6-9,16-17H,3-5,10-15H2,1-2H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002647
(CHEMBL212064)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C25H27F3N2O3/c1-32-22-9-8-20(17-23(22)33-15-14-29-11-3-2-4-12-29)30-13-10-21(24(30)31)18-6-5-7-19(16-18)25(26,27)28/h5-10,16-17H,2-4,11-15H2,1H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002676
(CHEMBL212886)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:22| Show InChI InChI=1S/C25H29ClN2O3/c1-18-8-11-27(12-9-18)14-15-31-24-17-21(6-7-23(24)30-2)28-13-10-22(25(28)29)19-4-3-5-20(26)16-19/h3-7,10,16-18H,8-9,11-15H2,1-2H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002680
(CHEMBL387022)Show SMILES COc1ccc(cc1Cl)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:12| Show InChI InChI=1S/C25H29ClN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-10,16-17H,3-5,11-15H2,1-2H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM81780
(CAS_6438382 | NSC_6438382 | SR 46349B)Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7| Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 262: 759-68 (1992)
BindingDB Entry DOI: 10.7270/Q27S7M7Z |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002645
(CHEMBL438963)Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1cccc(F)c1 |t:19| Show InChI InChI=1S/C24H27FN2O3/c1-29-22-9-8-18(16-23(22)30-15-14-26-11-3-2-4-12-26)21-10-13-27(24(21)28)20-7-5-6-19(25)17-20/h5-10,16-17H,2-4,11-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002670
(CHEMBL386431)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)cc1 |c:22| Show InChI InChI=1S/C25H29ClN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002681
(CHEMBL380020)Show SMILES COc1ccc(cc1F)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:12| Show InChI InChI=1S/C25H29FN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-10,16-17H,3-5,11-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002633
(CHEMBL211267)Show SMILES COc1ccc(cc1OCCN1CCOCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21| Show InChI InChI=1S/C23H24Cl2N2O4/c1-29-21-5-3-17(15-22(21)31-13-10-26-8-11-30-12-9-26)27-7-6-18(23(27)28)16-2-4-19(24)20(25)14-16/h2-6,14-15H,7-13H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002673
(CHEMBL213272)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:21| Show InChI InChI=1S/C24H27FN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002629
(CHEMBL210124)Show SMILES COc1ccc(cc1OCCN1CCC(F)(F)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23| Show InChI InChI=1S/C24H24Cl2F2N2O3/c1-32-21-5-3-17(15-22(21)33-13-12-29-10-7-24(27,28)8-11-29)30-9-6-18(23(30)31)16-2-4-19(25)20(26)14-16/h2-6,14-15H,7-13H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002679
(CHEMBL208894)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)cc1 |c:21| Show InChI InChI=1S/C24H27ClN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002686
(CHEMBL211466)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(F)c1 |c:22| Show InChI InChI=1S/C25H28ClFN2O3/c1-17-7-10-28(11-8-17)13-14-32-24-16-19(4-6-23(24)31-2)29-12-9-20(25(29)30)18-3-5-21(26)22(27)15-18/h3-6,9,15-17H,7-8,10-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
Xanthine dehydrogenase/oxidase
(Homo sapiens (Human)) | BDBM50051737
(2-Hexylsulfanyl-1,9-dihydro-purin-6-one | CHEMBL86...)Show InChI InChI=1S/C11H16N4OS/c1-2-3-4-5-6-17-11-14-9-8(10(16)15-11)12-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15,16) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena
Curated by ChEMBL
| Assay Description Inhibitory activity against Xanthine Oxidase |
J Med Chem 39: 2529-35 (1996)
Article DOI: 10.1021/jm950876u BindingDB Entry DOI: 10.7270/Q23R0RZS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002666
(CHEMBL427398)Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1CCN(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H28Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-8,15-16,19H,2-4,9-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002684
(CHEMBL209674)Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1(C)CCN(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H30Cl2N2O3/c1-25(10-13-29(24(25)30)19-7-8-20(26)21(27)17-19)18-6-9-22(31-2)23(16-18)32-15-14-28-11-4-3-5-12-28/h6-9,16-17H,3-5,10-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002623
(CHEMBL210059)Show SMILES COc1ccc(cc1)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:11| Show InChI InChI=1S/C25H30N2O4/c1-29-21-9-7-20(8-10-21)27-15-12-22(25(27)28)19-6-11-23(30-2)24(18-19)31-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002667
(CHEMBL209431)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(cc1)C(F)(F)F |c:22| Show InChI InChI=1S/C26H29F3N2O3/c1-18-9-12-30(13-10-18)15-16-34-24-17-21(7-8-23(24)33-2)31-14-11-22(25(31)32)19-3-5-20(6-4-19)26(27,28)29/h3-8,11,17-18H,9-10,12-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002624
(CHEMBL385921)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H28Cl2N2O3/c1-30-22-8-6-18(16-23(22)31-14-13-27-10-3-2-4-11-27)28-12-9-19(24(28)29)17-5-7-20(25)21(26)15-17/h5-8,15-16,19H,2-4,9-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002622
(CHEMBL379336)Show SMILES COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H32Cl2N2O3/c1-26(2)9-12-29(13-10-26)14-15-33-24-17-19(5-7-23(24)32-3)30-11-8-20(25(30)31)18-4-6-21(27)22(28)16-18/h4-7,16-17,20H,8-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002634
(CHEMBL439504)Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H30Cl2N2O3/c1-17-7-10-28(11-8-17)13-14-32-24-16-19(4-6-23(24)31-2)29-12-9-20(25(29)30)18-3-5-21(26)22(27)15-18/h3-6,15-17,20H,7-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002627
(CHEMBL209735)Show SMILES COc1ccc(cc1OCCN1CCC(CC1)C(C)C)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:24| Show InChI InChI=1S/C27H32Cl2N2O3/c1-18(2)19-8-11-30(12-9-19)14-15-34-26-17-21(5-7-25(26)33-3)31-13-10-22(27(31)32)20-4-6-23(28)24(29)16-20/h4-7,10,16-19H,8-9,11-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002674
(CHEMBL213328)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(cc1)C(F)(F)F |c:21| Show InChI InChI=1S/C25H27F3N2O3/c1-32-22-10-9-20(17-23(22)33-16-15-29-12-3-2-4-13-29)30-14-11-21(24(30)31)18-5-7-19(8-6-18)25(26,27)28/h5-11,17H,2-4,12-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
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| PubMed
| 14.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 262: 759-68 (1992)
BindingDB Entry DOI: 10.7270/Q27S7M7Z |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002677
(CHEMBL209727)Show SMILES COc1ccc(cc1F)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 Show InChI InChI=1S/C25H31FN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-9,16-17,20H,3-5,10-15H2,1-2H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002671
(CHEMBL212686)Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1CCN(C1=O)c1cccc(F)c1 Show InChI InChI=1S/C24H29FN2O3/c1-29-22-9-8-18(16-23(22)30-15-14-26-11-3-2-4-12-26)21-10-13-27(24(21)28)20-7-5-6-19(25)17-20/h5-9,16-17,21H,2-4,10-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002620
(CHEMBL211719)Show SMILES COc1ccc(cc1Cl)N1CCC(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 Show InChI InChI=1S/C25H31ClN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-9,16-17,20H,3-5,10-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002641
(CHEMBL209387)Show SMILES COc1ccc(cc1OCCN1CCC(CC1)C(C)C)N1CCC(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H34Cl2N2O3/c1-18(2)19-8-11-30(12-9-19)14-15-34-26-17-21(5-7-25(26)33-3)31-13-10-22(27(31)32)20-4-6-23(28)24(29)16-20/h4-7,16-19,22H,8-15H2,1-3H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002690
(CHEMBL386215)Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CCC(C1=O)c1cccc(Cl)c1 Show InChI InChI=1S/C24H29ClN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-9,16-17,21H,2-4,10-15H2,1H3 | 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 |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002688
(CHEMBL211103)Show SMILES CC(=O)Nc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23| Show InChI InChI=1S/C25H27Cl2N3O3/c1-17(31)28-23-8-6-19(16-24(23)33-14-13-29-10-3-2-4-11-29)30-12-9-20(25(30)32)18-5-7-21(26)22(27)15-18/h5-9,15-16H,2-4,10-14H2,1H3,(H,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50001775
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 58.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 262: 759-68 (1992)
BindingDB Entry DOI: 10.7270/Q27S7M7Z |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002639
(CHEMBL380264)Show SMILES Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1 |t:9| Show InChI InChI=1S/C23H23Cl3N2O2/c24-19-6-4-16(14-21(19)26)18-8-11-28(23(18)29)17-5-7-20(25)22(15-17)30-13-12-27-9-2-1-3-10-27/h4-8,14-15H,1-3,9-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery
Curated by ChEMBL
| Assay Description Binding affinity to human 5HT2C receptor |
Bioorg Med Chem Lett 16: 3906-12 (2006)
Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50008294
(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase. |
J Med Chem 42: 2112-24 (1999)
Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5 |
More data for this Ligand-Target Pair | 3D Structure (docked) |