BDBM50180844 CHEMBL3818560
SMILES: CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccc(OC)cc1
InChI Key: InChIKey=NFLRTHKJRLAVGF-UHFFFAOYSA-N
Data: 6 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 |
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Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50180844 (CHEMBL3818560) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis | J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50180844 (CHEMBL3818560) | 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 | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis | J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50180844 (CHEMBL3818560) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis | J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50180844 (CHEMBL3818560) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis | J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50180844 (CHEMBL3818560) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis | J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50180844 (CHEMBL3818560) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis | J Med Chem 59: 3340-52 (2016) BindingDB Entry DOI: 10.7270/Q29K4D50 | |||||||||||
More data for this Ligand-Target Pair |