BDBM50526493 CHEMBL4463046

SMILES: COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)OCC(C)(C)O

InChI Key: InChIKey=HDBXBTLLEWPGJW-QAQDUYKDSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50526493   

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))	BDBM50526493 (CHEMBL4463046) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)OCC(C)(C)O |r,wU:15.16,wD:18.23,(2.05,-27.36,;3.38,-28.14,;4.72,-27.37,;4.72,-25.82,;6.05,-25.05,;7.38,-25.82,;8.71,-25.04,;10.05,-25.8,;10.05,-27.35,;8.72,-28.13,;7.38,-27.36,;6.05,-28.14,;11.37,-25.02,;11.36,-23.48,;12.71,-25.78,;14.04,-25,;14.01,-23.47,;15.35,-22.69,;16.69,-23.45,;16.69,-24.99,;15.37,-25.77,;18.02,-22.68,;18.01,-21.14,;19.34,-20.35,;20.88,-20.35,;20.11,-21.69,;19.34,-18.82,)| Show InChI InChI=1S/C21H28N2O4/c1-21(2,25)13-27-17-8-5-16(6-9-17)23-20(24)15-10-14-4-7-18(26-3)11-19(14)22-12-15/h4,7,10-12,16-17,25H,5-6,8-9,13H2,1-3H3,(H,23,24)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	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