BDBM179430 US9126973, 25

SMILES: CNC(=O)N1CCCC(C1)c1nc(cn1C(=O)NC)-c1cnc(nc1)-c1ccccc1

InChI Key: InChIKey=GPFBOVGVJLHTRH-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 = 179430   

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))	BDBM179430 (US9126973, 25) Show SMILES CNC(=O)N1CCCC(C1)c1nc(cn1C(=O)NC)-c1cnc(nc1)-c1ccccc1 Show InChI InChI=1S/C22H25N7O2/c1-23-21(30)28-10-6-9-16(13-28)20-27-18(14-29(20)22(31)24-2)17-11-25-19(26-12-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,16H,6,9-10,13H2,1-2H3,(H,23,30)(H,24,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	25
CAYMAN CHEMICAL COMPANY, INCORPORATED US Patent					Assay Description This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...				US Patent US9126973 (2015) BindingDB Entry DOI: 10.7270/Q2930RZ3
					More data for this Ligand-Target Pair