BDBM50175297 CHEMBL3810245
SMILES: CC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=KNZCGSFVJLIXLJ-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50175297 (CHEMBL3810245) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP2C9 (unknown origin) | ACS Med Chem Lett 7: 525-30 (2016) BindingDB Entry DOI: 10.7270/Q24B337T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50175297 (CHEMBL3810245) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | ACS Med Chem Lett 7: 525-30 (2016) BindingDB Entry DOI: 10.7270/Q24B337T | |||||||||||
More data for this Ligand-Target Pair |