BDBM50507598 CHEMBL4539787
SMILES: COc1cc2c([nH]c(cc2=O)-c2ccc(F)cc2)c2c(OC)cccc12
InChI Key: InChIKey=MHJTWQKANDHIIB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50507598 (CHEMBL4539787) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology Curated by ChEMBL | Assay Description Inhibition of human CYP1A1 using 7-Ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay | Eur J Med Chem 163: 28-36 (2019) Article DOI: 10.1016/j.ejmech.2018.11.039 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50507598 (CHEMBL4539787) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology Curated by ChEMBL | Assay Description Inhibition of human CYP1A2 using 7-Ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assay | Eur J Med Chem 163: 28-36 (2019) Article DOI: 10.1016/j.ejmech.2018.11.039 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM50507598 (CHEMBL4539787) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology Curated by ChEMBL | Assay Description Inhibition of human CYP1B1 using 7-Ethoxyresorufin as substrate after 30 mins in presence of NADP+ by EROD assay | Eur J Med Chem 163: 28-36 (2019) Article DOI: 10.1016/j.ejmech.2018.11.039 | |||||||||||
More data for this Ligand-Target Pair |