BDBM50526489 CHEMBL4469614

SMILES: FC(F)(F)Oc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCNC1=O

InChI Key: InChIKey=KXBYPRMEZAIPIL-NSHDSACASA-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 = 50526489   

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))	BDBM50526489 (CHEMBL4469614) Show SMILES FC(F)(F)Oc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCNC1=O |r| Show InChI InChI=1S/C15H12F3N3O3/c16-15(17,18)24-10-2-1-8-5-9(7-20-12(8)6-10)13(22)21-11-3-4-19-14(11)23/h1-2,5-7,11H,3-4H2,(H,19,23)(H,21,22)/t11-/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	230	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