BDBM50359088 CHEMBL1229205
SMILES: COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
InChI Key: InChIKey=XIPYFDKZPWWWGS-UHFFFAOYSA-N
Data: 8 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50359088 (CHEMBL1229205) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 mins by ELISA | J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50359088 (CHEMBL1229205) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA | J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50359088 (CHEMBL1229205) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 5 hrs by ELISA | J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50359088 (CHEMBL1229205) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human CYP2D6 | J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50359088 (CHEMBL1229205) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... | J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50359088 (CHEMBL1229205) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human CYP3A4 | J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50359088 (CHEMBL1229205) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human CYP2C9 | J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50359088 (CHEMBL1229205) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of COX1-mediated TXB2 production in human whole blood after 30 mins by competitive enzyme immunoassay | J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W | |||||||||||
More data for this Ligand-Target Pair |