Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50207161' 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 1A
(Homo sapiens (Human)) | BDBM50207161
![PNG](/data/jpeg/tenK5020/BindingDB_50207161.png) (CHEMBL3950977 | US9550741, I-19)Show SMILES O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,6.6,(25.23,-30.94,;25.94,-29.6,;25.17,-28.27,;23.64,-28.27,;22.87,-26.94,;21.34,-26.94,;20.57,-28.27,;19.03,-28.27,;18.26,-26.94,;16.72,-26.94,;15.95,-28.27,;14.41,-28.27,;13.64,-26.94,;14.41,-25.61,;15.95,-25.61,;12.17,-26.94,;11.25,-28.17,;9.81,-27.71,;9.81,-26.17,;8.64,-25.15,;8.99,-23.61,;10.43,-23.15,;11.55,-24.17,;11.25,-25.66,;21.34,-29.6,;22.87,-29.6,;27.48,-29.5,;28.3,-28.22,;29.79,-28.63,;29.89,-30.17,;28.45,-30.68,)| Show InChI InChI=1S/C24H30N4O2S/c29-24(21-5-3-17-30-21)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-6-22(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 1.37 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Shanghai Institute of Pharmaceutical Industry
US Patent
| Assay Description 1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr... |
US Patent US9550741 (2017)
BindingDB Entry DOI: 10.7270/Q2DN4726 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50207161
![PNG](/data/jpeg/tenK5020/BindingDB_50207161.png) (CHEMBL3950977 | US9550741, I-19)Show SMILES O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,6.6,(25.23,-30.94,;25.94,-29.6,;25.17,-28.27,;23.64,-28.27,;22.87,-26.94,;21.34,-26.94,;20.57,-28.27,;19.03,-28.27,;18.26,-26.94,;16.72,-26.94,;15.95,-28.27,;14.41,-28.27,;13.64,-26.94,;14.41,-25.61,;15.95,-25.61,;12.17,-26.94,;11.25,-28.17,;9.81,-27.71,;9.81,-26.17,;8.64,-25.15,;8.99,-23.61,;10.43,-23.15,;11.55,-24.17,;11.25,-25.66,;21.34,-29.6,;22.87,-29.6,;27.48,-29.5,;28.3,-28.22,;29.79,-28.63,;29.89,-30.17,;28.45,-30.68,)| Show InChI InChI=1S/C24H30N4O2S/c29-24(21-5-3-17-30-21)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-6-22(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 1.37 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Shanghai Institute of Pharmaceutical Industry
US Patent
| Assay Description 1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr... |
US Patent US9550741 (2017)
BindingDB Entry DOI: 10.7270/Q2DN4726 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50207161
![PNG](/data/jpeg/tenK5020/BindingDB_50207161.png) (CHEMBL3950977 | US9550741, I-19)Show SMILES O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,6.6,(25.23,-30.94,;25.94,-29.6,;25.17,-28.27,;23.64,-28.27,;22.87,-26.94,;21.34,-26.94,;20.57,-28.27,;19.03,-28.27,;18.26,-26.94,;16.72,-26.94,;15.95,-28.27,;14.41,-28.27,;13.64,-26.94,;14.41,-25.61,;15.95,-25.61,;12.17,-26.94,;11.25,-28.17,;9.81,-27.71,;9.81,-26.17,;8.64,-25.15,;8.99,-23.61,;10.43,-23.15,;11.55,-24.17,;11.25,-25.66,;21.34,-29.6,;22.87,-29.6,;27.48,-29.5,;28.3,-28.22,;29.79,-28.63,;29.89,-30.17,;28.45,-30.68,)| Show InChI InChI=1S/C24H30N4O2S/c29-24(21-5-3-17-30-21)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-6-22(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this Ligand-Target Pair | |