BDBM179425 US9126973, 20

SMILES: O=C(N1CCC(CC1)c1nc(c[nH]1)-c1cnc(nc1)-c1ccccc1)c1cccnc1

InChI Key: InChIKey=VCKJLGPNDUAGIY-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 = 179425   

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))	BDBM179425 (US9126973, 20) Show SMILES O=C(N1CCC(CC1)c1nc(c[nH]1)-c1cnc(nc1)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H22N6O/c31-24(19-7-4-10-25-13-19)30-11-8-18(9-12-30)23-28-16-21(29-23)20-14-26-22(27-15-20)17-5-2-1-3-6-17/h1-7,10,13-16,18H,8-9,11-12H2,(H,28,29)	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	450	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