BDBM50526485 CHEMBL4473072
SMILES: CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1
InChI Key: InChIKey=YRWMWDLEUYLURJ-SHTZXODSSA-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)) | BDBM50526485 (CHEMBL4473072) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Binding affinity to full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching assay | Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prostaglandin D Synthase (Homo sapiens (Human)) | BDBM50526485 (CHEMBL4473072) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R... | Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Hematopoietic prostaglandin D synthase (Rattus norvegicus) | BDBM50526485 (CHEMBL4473072) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HPGDS in RBL cells assessed as reduction in A23187-induced PGD2 production preincubated for 30 mins followed by A23187 addition and mea... | Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 | |||||||||||
More data for this Ligand-Target Pair |