BDBM50317630 4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobiphenyl-3-yloxy)hexyl)-2-(2-carboxyethyl)phenoxy)butanoic acid::CHEMBL1094349
SMILES: OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccccc2F)-c2ccc3OCOc3c2)c1CCC(O)=O
InChI Key: InChIKey=WMYNTTGGSSIVHK-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50317630 (4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobip...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of CYP1A2 by fluorescence method | J Med Chem 53: 3502-16 (2010) Article DOI: 10.1021/jm1001919 BindingDB Entry DOI: 10.7270/Q2KW5G67 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50317630 (4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobip...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of CYP2D6 flourescence method | J Med Chem 53: 3502-16 (2010) Article DOI: 10.1021/jm1001919 BindingDB Entry DOI: 10.7270/Q2KW5G67 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50317630 (4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of CYP2C9 fluorescence method | J Med Chem 53: 3502-16 (2010) Article DOI: 10.1021/jm1001919 BindingDB Entry DOI: 10.7270/Q2KW5G67 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50317630 (4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of CYP3A4 fluorescence method | J Med Chem 53: 3502-16 (2010) Article DOI: 10.1021/jm1001919 BindingDB Entry DOI: 10.7270/Q2KW5G67 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukotriene B4 receptor (Homo sapiens (Human)) | BDBM50317630 (4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobip...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Antagonist activity at BLT1 receptor expressed in human HL60 cells assessed as inhibition of LTB4-stimulated calcium flux after 30 mins | J Med Chem 53: 3502-16 (2010) Article DOI: 10.1021/jm1001919 BindingDB Entry DOI: 10.7270/Q2KW5G67 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50317630 (4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of CYP2C19 flourescence method | J Med Chem 53: 3502-16 (2010) Article DOI: 10.1021/jm1001919 BindingDB Entry DOI: 10.7270/Q2KW5G67 | |||||||||||
More data for this Ligand-Target Pair |