BDBM50200833 CHEMBL373626::N-((2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide::N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
SMILES: C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1
InChI Key: InChIKey=CNXHSGKYYXSHMP-HTAPYJJXSA-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)) | BDBM50200833 (CHEMBL373626 | 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 Patents Similars | Article PubMed | n/a | n/a | 0.540 | 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 2 (Homo sapiens (Human)) | BDBM50200833 (CHEMBL373626 | 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 Patents Similars | Article PubMed | n/a | n/a | 140 | 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 | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50200833 (CHEMBL373626 | 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 Patents Similars | Article PubMed | n/a | n/a | 0.5 | 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 1 (Homo sapiens (Human)) | BDBM50200833 (CHEMBL373626 | 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 Patents Similars | Article PubMed | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]CP55490 from human recombinant cannabinoid CB1 receptor expressed in CHO cells | Bioorg Med Chem Lett 20: 4757-61 (2010) Article DOI: 10.1016/j.bmcl.2010.06.127 BindingDB Entry DOI: 10.7270/Q2NK3F71 | |||||||||||
More data for this Ligand-Target Pair |