Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50040825 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 |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50400743
(CHEMBL2203549)Show SMILES COC(=O)[C@]1(C[C@H]1CN(C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,TLB:8:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,8:10:13:17.16.15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C23H31NO2/c1-24(22-11-16-8-17(12-22)10-18(9-16)13-22)15-20-14-23(20,21(25)26-2)19-6-4-3-5-7-19/h3-7,16-18,20H,8-15H2,1-2H3/t16?,17?,18?,20-,22?,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50035131
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50064957
(CHEMBL76806 | N-(1-Benzyl-piperidin-4-yl)-2-(2-flu...)Show InChI InChI=1S/C20H23FN2O/c21-19-9-5-4-8-17(19)14-20(24)22-18-10-12-23(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |