BDBM50068666 4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine::CHEMBL127644
SMILES: C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1
InChI Key: InChIKey=RTRAPBQOJODDGH-PTGBLXJZSA-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 1 (Homo sapiens (Human)) | BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand | J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand | J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [3H]-CP55940 from human CB1 receptor | J Med Chem 59: 7525-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00516 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [3H]-CP55940 from human CB2 receptor | J Med Chem 59: 7525-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00516 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand at site 1 | J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 611 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand at site 2 | J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 138 | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Agonist activity at human CB2R expressed in CHO cells by Ca2+ flux assay | J Med Chem 59: 7525-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00516 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 257 | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Agonist activity at human CB1R expressed in CHO cells by Ca2+ flux assay | J Med Chem 59: 7525-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00516 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor (Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50068666 (4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes | Bioorg Med Chem Lett 5: 381-386 (1995) Article DOI: 10.1016/0960-894X(95)00040-Z BindingDB Entry DOI: 10.7270/Q2571BZN | |||||||||||
More data for this Ligand-Target Pair |