BDBM50084260 CHEMBL3425961

SMILES: FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCCC1

InChI Key: InChIKey=MEQIQNMGHAKIRF-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50084260   

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))	BDBM50084260 (CHEMBL3425961) Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCCC1 Show InChI InChI=1S/C17H23F3N4O/c18-17(19,20)12-23-9-5-14(6-10-23)22-16(25)13-3-4-15(21-11-13)24-7-1-2-8-24/h3-4,11,14H,1-2,5-10,12H2,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins...				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
					More data for this Ligand-Target Pair
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50084260 (CHEMBL3425961) Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)N1CCCC1 Show InChI InChI=1S/C17H23F3N4O/c18-17(19,20)12-23-9-5-14(6-10-23)22-16(25)13-3-4-15(21-11-13)24-7-1-2-8-24/h3-4,11,14H,1-2,5-10,12H2,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
					More data for this Ligand-Target Pair