BDBM86883 CAS_3340785::NSC_3340785::azepan-1-yl(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methylbenzofuran-2-yl)methanone
SMILES: CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1
InChI Key: InChIKey=QNVCPMXPXAEENP-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 86883 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86883
(CAS_3340785 | NSC_3340785 | azepan-1-yl(5-(3,5-dim...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1 Show InChI InChI=1S/C23H32N2O4S/c1-16-12-17(2)15-25(14-16)30(27,28)19-8-9-21-20(13-19)18(3)22(29-21)23(26)24-10-6-4-5-7-11-24/h8-9,13,16-17H,4-7,10-12,14-15H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133 BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86883
(CAS_3340785 | NSC_3340785 | azepan-1-yl(5-(3,5-dim...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1 Show InChI InChI=1S/C23H32N2O4S/c1-16-12-17(2)15-25(14-16)30(27,28)19-8-9-21-20(13-19)18(3)22(29-21)23(26)24-10-6-4-5-7-11-24/h8-9,13,16-17H,4-7,10-12,14-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133 BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this Ligand-Target Pair | |