BDBM50045643 3-[1-(4-Chloro-benzyl)-4-methyl-6-(quinolin-2-ylmethoxy)-4,5-dihydro-1H-3-thia-1-aza-acenaphthylen-2-yl]-2,2-dimethyl-propionic acid::3-[1-(4-Chloro-benzyl)-4-methyl-6-(quinolin-2-ylmethoxy)-4,5-dihydro-1H-thiopyrano[2,3,4-cd]indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL50170
SMILES: CC1Cc2c(OCc3ccc4ccccc4n3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
InChI Key: InChIKey=BPNVEWHXKSVOQN-UHFFFAOYSA-N
Data: 5 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)) | BDBM50045643 (3-[1-(4-Chloro-benzyl)-4-methyl-6-(quinolin-2-ylme...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Tested for inhibition of leukotriene biosynthesis by binding to 5-lipoxygenase activating protein | J Med Chem 36: 2771-87 (1993) BindingDB Entry DOI: 10.7270/Q28914XB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50045643 (3-[1-(4-Chloro-benzyl)-4-methyl-6-(quinolin-2-ylme...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytes | J Med Chem 36: 2771-87 (1993) BindingDB Entry DOI: 10.7270/Q28914XB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Rattus norvegicus) | BDBM50045643 (3-[1-(4-Chloro-benzyl)-4-methyl-6-(quinolin-2-ylme...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for its inhibitory activity against 5-lipoxygenase in rat. | Bioorg Med Chem Lett 2: 1699-1702 (1992) Article DOI: 10.1016/S0960-894X(00)80459-X BindingDB Entry DOI: 10.7270/Q29C6XB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50045643 (3-[1-(4-Chloro-benzyl)-4-methyl-6-(quinolin-2-ylme...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP) | Bioorg Med Chem Lett 2: 1699-1702 (1992) Article DOI: 10.1016/S0960-894X(00)80459-X BindingDB Entry DOI: 10.7270/Q29C6XB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Rattus norvegicus) | BDBM50045643 (3-[1-(4-Chloro-benzyl)-4-methyl-6-(quinolin-2-ylme...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN leukocytes | J Med Chem 36: 2771-87 (1993) BindingDB Entry DOI: 10.7270/Q28914XB | |||||||||||
More data for this Ligand-Target Pair |