Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50343893' 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)) | BDBM50343893
![PNG](/data/jpeg/tenK5034/BindingDB_50343893.png) (CHEMBL1774994 | N-(2-(4-(2-Hydroxyphenyl)piperazin...)Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(C2)C(I)C(C4)C3)c2ccccn2)CC1 |TLB:19:18:21.20.22:26,THB:23:22:26:17.18.25,22:20:17:24.26.25,22:24:17:21.20.19,(-5.82,-35.6,;-6.58,-36.94,;-8.13,-36.95,;-8.89,-38.28,;-8.12,-39.61,;-6.58,-39.61,;-5.81,-38.27,;-4.27,-38.27,;-3.5,-39.6,;-1.97,-39.6,;-1.2,-38.27,;.34,-38.27,;1.11,-36.94,;2.65,-36.94,;3.42,-35.61,;4.96,-35.61,;2.65,-34.27,;3.99,-33.74,;3.34,-31.94,;3.75,-30.19,;2.67,-31.61,;3.43,-32.94,;1.13,-31.6,;.37,-30.27,;.36,-32.93,;1.83,-31.94,;1.12,-34.27,;3.42,-38.27,;4.95,-38.27,;5.71,-39.61,;4.94,-40.94,;3.4,-40.93,;2.64,-39.6,;-1.97,-36.94,;-3.51,-36.93,)| Show InChI InChI=1S/C28H35IN4O2/c29-26-21-15-20-16-22(26)19-28(17-20,18-21)27(35)33(25-7-3-4-8-30-25)14-11-31-9-12-32(13-10-31)23-5-1-2-6-24(23)34/h1-8,20-22,26,34H,9-19H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Medical Center
Curated by ChEMBL
| Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 3480-91 (2011)
Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50343893
![PNG](/data/jpeg/tenK5034/BindingDB_50343893.png) (CHEMBL1774994 | N-(2-(4-(2-Hydroxyphenyl)piperazin...)Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(C2)C(I)C(C4)C3)c2ccccn2)CC1 |TLB:19:18:21.20.22:26,THB:23:22:26:17.18.25,22:20:17:24.26.25,22:24:17:21.20.19,(-5.82,-35.6,;-6.58,-36.94,;-8.13,-36.95,;-8.89,-38.28,;-8.12,-39.61,;-6.58,-39.61,;-5.81,-38.27,;-4.27,-38.27,;-3.5,-39.6,;-1.97,-39.6,;-1.2,-38.27,;.34,-38.27,;1.11,-36.94,;2.65,-36.94,;3.42,-35.61,;4.96,-35.61,;2.65,-34.27,;3.99,-33.74,;3.34,-31.94,;3.75,-30.19,;2.67,-31.61,;3.43,-32.94,;1.13,-31.6,;.37,-30.27,;.36,-32.93,;1.83,-31.94,;1.12,-34.27,;3.42,-38.27,;4.95,-38.27,;5.71,-39.61,;4.94,-40.94,;3.4,-40.93,;2.64,-39.6,;-1.97,-36.94,;-3.51,-36.93,)| Show InChI InChI=1S/C28H35IN4O2/c29-26-21-15-20-16-22(26)19-28(17-20,18-21)27(35)33(25-7-3-4-8-30-25)14-11-31-9-12-32(13-10-31)23-5-1-2-6-24(23)34/h1-8,20-22,26,34H,9-19H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.95 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Medical Center
Curated by ChEMBL
| Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 3480-91 (2011)
Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C |
More data for this Ligand-Target Pair | |