BDBM179473 US9126973, 49

SMILES: c1ccc(cc1)-c1nnc([nH]1)-c1cnc(nc1)-c1ccccc1

InChI Key: InChIKey=HZYGELDEBKBHSH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 179473   

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))	BDBM179473 (US9126973, 49) Show SMILES c1ccc(cc1)-c1nnc([nH]1)-c1cnc(nc1)-c1ccccc1 Show InChI InChI=1S/C18H13N5/c1-3-7-13(8-4-1)16-19-11-15(12-20-16)18-21-17(22-23-18)14-9-5-2-6-10-14/h1-12H,(H,21,22,23)	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	84	n/a	n/a	n/a	n/a	8.0	25
CAYMAN CHEMICAL COMPANY, INCORPORATED US Patent					Assay Description The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...				US Patent US9126973 (2015) BindingDB Entry DOI: 10.7270/Q2930RZ3
					More data for this Ligand-Target Pair
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM179473 (US9126973, 49) Show SMILES c1ccc(cc1)-c1nnc([nH]1)-c1cnc(nc1)-c1ccccc1 Show InChI InChI=1S/C18H13N5/c1-3-7-13(8-4-1)16-19-11-15(12-20-16)18-21-17(22-23-18)14-9-5-2-6-10-14/h1-12H,(H,21,22,23)	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	1.00E+3	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