BDBM50041161 1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol-5-yl)-propyl]-4-methyl-6-(5-phenyl-pyridin-2-ylmethoxy)-4,5-dihydro-1H-3-thia-1-aza-acenaphthylene::1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(2H-tetrazol-5-yl)-propyl]-4-methyl-6-(5-phenyl-pyridin-2-ylmethoxy)-4,5-dihydro-1H-thiopyrano[2,3,4-cd]indole::CHEMBL275887
SMILES: CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
InChI Key: InChIKey=ZXTQNTHPGKKAHX-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50041161 (1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 75 | 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 activity against 5-Lipoxygenase (5-LO) | J Med Chem 37: 1153-64 (1994) BindingDB Entry DOI: 10.7270/Q2PV6JF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Rattus norvegicus) | BDBM50041161 (1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 16 | 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 5-HPETE production by rat 5-LO; value ranges from 16-36 nM | 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) | BDBM50041161 (1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 17 | 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 | |||||||||||||
Arachidonate 12-lipoxygenase (Sus scrofa) | BDBM50041161 (1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.80E+3 | 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 against porcine 12-LO | 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)) | BDBM50041161 (1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 75 | 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 5-HPETE production by human 5-LO | 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)) | BDBM50041161 (1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8 | 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 |