Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50203480' 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 |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50203480
(8-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...)Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)| Show InChI InChI=1S/C31H34FN3O3/c1-20(2)38-28-6-4-3-5-27(28)34-17-15-33(16-18-34)23-10-12-24(13-11-23)35-30(36)25-14-8-21-7-9-22(32)19-26(21)29(25)31(35)37/h3-9,14,19-20,23-24H,10-13,15-18H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 1646-50 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2 |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50203480
(8-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...)Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)| Show InChI InChI=1S/C31H34FN3O3/c1-20(2)38-28-6-4-3-5-27(28)34-17-15-33(16-18-34)23-10-12-24(13-11-23)35-30(36)25-14-8-21-7-9-22(32)19-26(21)29(25)31(35)37/h3-9,14,19-20,23-24H,10-13,15-18H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 1646-50 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2 |
More data for this Ligand-Target Pair | |