BDBM50316519 CHEMBL1097456::N-[6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-4-YL]-4,4,4-TRIFLUORO-3-HYDROXYBUTANAMIDE (DIASTEREOMERIC MIX)::N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide
SMILES: CC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
InChI Key: InChIKey=ONIULYGRFWGEHO-UHFFFAOYSA-N
Data: 3 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)) | BDBM50316519 (CHEMBL1097456 | N-[6-(4-CHLOROPHENYL)-7-(2,4-DICHL...) | 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 | 0.700 | 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 recombinant cannabinoid CB1 receptor expressed in CHO cells | J Med Chem 53: 4028-37 (2010) Article DOI: 10.1021/jm100023j BindingDB Entry DOI: 10.7270/Q2TQ61QD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50316519 (CHEMBL1097456 | N-[6-(4-CHLOROPHENYL)-7-(2,4-DICHL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [35S]MK499 from human ERG expressed in HEK293 cells | J Med Chem 53: 4028-37 (2010) Article DOI: 10.1021/jm100023j BindingDB Entry DOI: 10.7270/Q2TQ61QD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50316519 (CHEMBL1097456 | N-[6-(4-CHLOROPHENYL)-7-(2,4-DICHL...) | 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 | 250 | 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 recombinant cannabinoid CB2 receptor expressed in CHO cells | J Med Chem 53: 4028-37 (2010) Article DOI: 10.1021/jm100023j BindingDB Entry DOI: 10.7270/Q2TQ61QD | |||||||||||
More data for this Ligand-Target Pair |