BDBM21624 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid::Thiazolylamino, 12
SMILES: Cc1cc(ccc1F)-c1csc(Nc2ccc(C(O)=O)c(O)c2)n1
InChI Key: InChIKey=LKZZDHKJFDTYCH-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostaglandin D Synthase (Homo sapiens (Human)) | BDBM21624 (4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]a...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 138 | n/a | n/a | n/a | n/a | 7.2 | 22 |
AstraZeneca | Assay Description The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-w... | J Med Chem 51: 2178-86 (2008) Article DOI: 10.1021/jm701509k BindingDB Entry DOI: 10.7270/Q2Z036FR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prostaglandin D Synthase (Homo sapiens (Human)) | BDBM21624 (4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]a...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 9.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM | J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prostaglandin D Synthase (Homo sapiens (Human)) | BDBM21624 (4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]a...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay | J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |