BDBM50526500 CHEMBL4588916

SMILES: COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CONC1=O

InChI Key: InChIKey=FVTYVGWEQJSIIR-LBPRGKRZSA-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 = 50526500   

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))	BDBM50526500 (CHEMBL4588916) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CONC1=O |r| Show InChI InChI=1S/C14H13N3O4/c1-20-10-3-2-8-4-9(6-15-11(8)5-10)13(18)16-12-7-21-17-14(12)19/h2-6,12H,7H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1	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	630	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