BDBM50448471 CHEMBL3126382
SMILES: OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)C1CCCC1
InChI Key: InChIKey=CMKZQSHWRVZOOY-PMERELPUSA-N
Data: 4 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 2D6 (Homo sapiens (Human)) | BDBM50448471 (CHEMBL3126382) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of human CYP2D6 expressed in Escherichia coli | J Med Chem 57: 159-70 (2014) Article DOI: 10.1021/jm401532g BindingDB Entry DOI: 10.7270/Q2CC126Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50448471 (CHEMBL3126382) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of human CYP2C9 expressed in Escherichia coli | J Med Chem 57: 159-70 (2014) Article DOI: 10.1021/jm401532g BindingDB Entry DOI: 10.7270/Q2CC126Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50448471 (CHEMBL3126382) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of human CYP1A2 expressed in Escherichia coli | J Med Chem 57: 159-70 (2014) Article DOI: 10.1021/jm401532g BindingDB Entry DOI: 10.7270/Q2CC126Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50448471 (CHEMBL3126382) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of human CYP2C19 expressed in Escherichia coli | J Med Chem 57: 159-70 (2014) Article DOI: 10.1021/jm401532g BindingDB Entry DOI: 10.7270/Q2CC126Q | |||||||||||
More data for this Ligand-Target Pair |