BDBM50526477 CHEMBL4563481

SMILES: COc1ccc2cc(cnc2c1)C(=O)NCCN1CCNC1=O

InChI Key: InChIKey=DXXWZEQDDWBCHT-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 = 50526477   

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))	BDBM50526477 (CHEMBL4563481) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NCCN1CCNC1=O Show InChI InChI=1S/C16H18N4O3/c1-23-13-3-2-11-8-12(10-19-14(11)9-13)15(21)17-4-6-20-7-5-18-16(20)22/h2-3,8-10H,4-7H2,1H3,(H,17,21)(H,18,22)	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	520	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