BDBM86885 CAS_22422466::N-(4-fluorobenzyl)-5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methylbenzofuran-2-carboxamide::NSC_22422466
SMILES: CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1
InChI Key: InChIKey=MRAXIOYVXDJJBP-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 86885 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)) | BDBM86885
(CAS_22422466 | N-(4-fluorobenzyl)-5-(3,5-dimethylp...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1 Show InChI InChI=1S/C24H27FN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)20-8-9-22-21(11-20)17(3)23(31-22)24(28)26-12-18-4-6-19(25)7-5-18/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| 62 | 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)) | BDBM86885
(CAS_22422466 | N-(4-fluorobenzyl)-5-(3,5-dimethylp...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1 Show InChI InChI=1S/C24H27FN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)20-8-9-22-21(11-20)17(3)23(31-22)24(28)26-12-18-4-6-19(25)7-5-18/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 4.00E+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 | |