BDBM50006229 CHEMBL3235057
SMILES: [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1nn(CCN3CCOCC3)c3c(OC)cccc13)C2(C)C
InChI Key: InChIKey=CPTXZVAIZCMESQ-HGMMTPDKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50006229 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 2
(Homo sapiens (Human)) | BDBM50006229
(CHEMBL3235057)Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1nn(CCN3CCOCC3)c3c(OC)cccc13)C2(C)C |r| Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23-,25+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50006229
(CHEMBL3235057)Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1nn(CCN3CCOCC3)c3c(OC)cccc13)C2(C)C |r| Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23-,25+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this Ligand-Target Pair | |