Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50160613' 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)) | BDBM50160613
(5-Fluoro-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazin...)Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:8.7,wD:11.14,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.69,1.96,;-9.22,1.97,;-9.98,3.31,;-9.21,4.64,;-7.66,4.62,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)| Show InChI InChI=1S/C26H29FN4/c27-19-6-9-25-22(16-19)23(17-29-25)18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-3-1-2-24-21(26)10-11-28-24/h1-3,6,9-11,16-18,20,28-29H,4-5,7-8,12-15H2/t18-,20- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem 16: 6707-23 (2008)
Article DOI: 10.1016/j.bmc.2008.05.075 BindingDB Entry DOI: 10.7270/Q2GT5MZ4 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50160613
(5-Fluoro-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazin...)Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:8.7,wD:11.14,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.69,1.96,;-9.22,1.97,;-9.98,3.31,;-9.21,4.64,;-7.66,4.62,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)| Show InChI InChI=1S/C26H29FN4/c27-19-6-9-25-22(16-19)23(17-29-25)18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-3-1-2-24-21(26)10-11-28-24/h1-3,6,9-11,16-18,20,28-29H,4-5,7-8,12-15H2/t18-,20- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells. |
Bioorg Med Chem Lett 15: 911-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.064 BindingDB Entry DOI: 10.7270/Q2VD6XZH |
More data for this Ligand-Target Pair | |