BDBM50052018 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL313489::MK-591::Sodium; 3-[3-tert-butylsulfanyl-1-(4-chloro-benzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionate
SMILES: CC(C)(C)Sc1c(CC(C)(C)C([O-])=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
InChI Key: InChIKey=NZOONKHCNQFYCI-UHFFFAOYSA-M
Data: 12 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)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.5 | 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)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 108 | 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 | |||||||||||||
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 12 | 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 3 hr by ELISA in p... | 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)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | 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 1 hr by ELISA in a... | 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)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.90 | 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 | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase 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 |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay | J Med Chem 43: 690-705 (2000) BindingDB Entry DOI: 10.7270/Q2HD7WCR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase-activating protein (Rattus norvegicus) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of FLAP in rat whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 4 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 | |||||||||||||
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 536 | 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)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 66 | 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 i... | 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 | |||||||||||||
Arachidonate 5-lipoxygenase-activating protein (Rattus norvegicus) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of FLAP in rat 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)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 80 | 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 11 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 | |||||||||||||
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | 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 5 mins by ELISA in... | 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 |