BDBM21284 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole::Tetrahydropyranyl-methyl analogue, 5
SMILES: CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C
InChI Key: InChIKey=NQTMRZNYLIGQCF-UHFFFAOYSA-N
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)) | BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.210 | n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... | J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 12 | -11.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Abbott Laboratories | Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... | J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Rattus norvegicus (Rat)) | BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced cAMP production by cell based assay | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at rat CB1 receptor assessed as inhibition of forskolin-induced cAMP production by cell based assay | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at human recombinant CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair |