BDBM179408 US9126973, 10

SMILES: c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1cccnc1

InChI Key: InChIKey=JYCLUMTXRWBELE-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 = 179408   

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))	BDBM179408 (US9126973, 10) Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1cccnc1 Show InChI InChI=1S/C18H13N5/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-22-18(23-16)14-7-4-8-19-9-14/h1-12H,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	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))	BDBM179408 (US9126973, 10) Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1cccnc1 Show InChI InChI=1S/C18H13N5/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-22-18(23-16)14-7-4-8-19-9-14/h1-12H,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79	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