BDBM50200838 CHEMBL217862::N-((2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl)-2-methyl-2-phenoxypropanamide::N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-(phenyloxy)-2-methylpropanamide
SMILES: C[C@H](NC(=O)C(C)(C)Oc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1
InChI Key: InChIKey=IROBMYGWVLTDFP-YADARESESA-N
Data: 4 IC50
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)) | BDBM50200838 (CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.03 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells | J Med Chem 51: 4359-69 (2008) Article DOI: 10.1021/jm800219f BindingDB Entry DOI: 10.7270/Q28915N5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50200838 (CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of radiolabeled CP5549 binding to human Cannabinoid receptor 1 expressed in CHO cells by competition assay | J Med Chem 63: 6276-6302 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50200838 (CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells | J Med Chem 49: 7584-7 (2006) Article DOI: 10.1021/jm060996+ BindingDB Entry DOI: 10.7270/Q2QN67KG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50200838 (CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells | J Med Chem 49: 7584-7 (2006) Article DOI: 10.1021/jm060996+ BindingDB Entry DOI: 10.7270/Q2QN67KG | |||||||||||
More data for this Ligand-Target Pair |