null
SMILES: CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=YVSHQGAIDXNKCO-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human)) | BDBM50399544 (CHEMBL2180905) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium | J Med Chem 55: 9847-55 (2012) Article DOI: 10.1021/jm301056k BindingDB Entry DOI: 10.7270/Q26W9C7J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50399544 (CHEMBL2180905) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | J Med Chem 55: 9847-55 (2012) Article DOI: 10.1021/jm301056k BindingDB Entry DOI: 10.7270/Q26W9C7J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human)) | BDBM50399544 (CHEMBL2180905) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Activation of PXR | J Med Chem 55: 9847-55 (2012) Article DOI: 10.1021/jm301056k BindingDB Entry DOI: 10.7270/Q26W9C7J | |||||||||||
More data for this Ligand-Target Pair |