BDBM50526487 CHEMBL4458862

SMILES: Cn1nnnc1N1CCC(CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1

InChI Key: InChIKey=MULBRCOFANWGJX-UHFFFAOYSA-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 = 50526487   

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))	BDBM50526487 (CHEMBL4458862) Show SMILES Cn1nnnc1N1CCC(CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 Show InChI InChI=1S/C18H19F2N7O2/c1-26-18(23-24-25-26)27-6-4-13(5-7-27)22-16(28)12-8-11-2-3-14(29-17(19)20)9-15(11)21-10-12/h2-3,8-10,13,17H,4-7H2,1H3,(H,22,28)	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	20	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