BDBM50317628 4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-phenoxy)-hexyl]-phenoxy}-butyric acid::CHEMBL1099326
SMILES: OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccncc2)-c2ccncc2)c1CCC(O)=O
InChI Key: InChIKey=HCBQJHASLYAXLH-UHFFFAOYSA-N
Data: 9 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukotriene B4 receptor (Homo sapiens (Human)) | BDBM50317628 (4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Antagonist activity at FLAG-tagged human BLT1 receptor expressed in HEK293 cells assessed as inhibition of LTB4-stimulated calcium mobilization prein... | 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 2 (Homo sapiens (Human)) | BDBM50317628 (4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Antagonist activity at FLAG-tagged human BLT2 receptor expressed in HEK293 cells assessed as inhibition of LTB4-stimulated calcium mobilization prein... | 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)) | BDBM50317628 (4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0700 | 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 1A (Homo sapiens (Human)) | BDBM50317628 (4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p...) | 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 2C9 (Homo sapiens (Human)) | BDBM50317628 (4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p...) | 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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of CYP2C9 by LC/MS 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 2C19 (Homo sapiens (Human)) | BDBM50317628 (4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p...) | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50317628 (4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p...) | 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 | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50317628 (4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p...) | 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 | 340 | 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 2D6 (Homo sapiens (Human)) | BDBM50317628 (4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p...) | 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 |