Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50213511' 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)) | BDBM50213511
(CHEMBL229085 | N-((1s,4s)-4-(4-(2-cyclopropoxyphen...)Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:17.21,14.14,(10.4,-18.11,;8.86,-18.12,;8.11,-19.46,;6.55,-19.48,;5.8,-20.82,;6.58,-22.14,;8.13,-22.14,;8.89,-20.8,;10.43,-20.78,;11.21,-22.11,;5.82,-23.49,;4.47,-22.75,;7.17,-24.23,;5.1,-24.85,;3.57,-24.91,;2.85,-26.27,;1.31,-26.33,;.49,-25.02,;1.2,-23.66,;2.75,-23.6,;-1.04,-25.08,;-1.76,-26.44,;-3.29,-26.51,;-4.12,-25.21,;-3.41,-23.84,;-1.87,-23.78,;-5.66,-25.27,;-6.37,-26.64,;-7.91,-26.71,;-8.73,-25.41,;-8.03,-24.04,;-6.49,-23.97,;-5.79,-22.6,;-6.62,-21.31,;-6.69,-19.77,;-7.99,-20.6,)| Show InChI InChI=1S/C28H38N2O5S/c1-33-27-14-13-24(19-28(27)34-2)36(31,32)29-21-7-9-22(10-8-21)30-17-15-20(16-18-30)25-5-3-4-6-26(25)35-23-11-12-23/h3-6,13-14,19-23,29H,7-12,15-18H2,1-2H3/t21-,22+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor |
Bioorg Med Chem Lett 17: 6123-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.051
BindingDB Entry DOI: 10.7270/Q2C82925 |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50213511
(CHEMBL229085 | N-((1s,4s)-4-(4-(2-cyclopropoxyphen...)Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:17.21,14.14,(10.4,-18.11,;8.86,-18.12,;8.11,-19.46,;6.55,-19.48,;5.8,-20.82,;6.58,-22.14,;8.13,-22.14,;8.89,-20.8,;10.43,-20.78,;11.21,-22.11,;5.82,-23.49,;4.47,-22.75,;7.17,-24.23,;5.1,-24.85,;3.57,-24.91,;2.85,-26.27,;1.31,-26.33,;.49,-25.02,;1.2,-23.66,;2.75,-23.6,;-1.04,-25.08,;-1.76,-26.44,;-3.29,-26.51,;-4.12,-25.21,;-3.41,-23.84,;-1.87,-23.78,;-5.66,-25.27,;-6.37,-26.64,;-7.91,-26.71,;-8.73,-25.41,;-8.03,-24.04,;-6.49,-23.97,;-5.79,-22.6,;-6.62,-21.31,;-6.69,-19.77,;-7.99,-20.6,)| Show InChI InChI=1S/C28H38N2O5S/c1-33-27-14-13-24(19-28(27)34-2)36(31,32)29-21-7-9-22(10-8-21)30-17-15-20(16-18-30)25-5-3-4-6-26(25)35-23-11-12-23/h3-6,13-14,19-23,29H,7-12,15-18H2,1-2H3/t21-,22+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor |
Bioorg Med Chem Lett 17: 3930-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.098
BindingDB Entry DOI: 10.7270/Q2639PF1 |
More data for this
Ligand-Target Pair | |
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