BDBM179381 US9126973, 3

SMILES: Cn1c(cnc1-c1ccccc1)-c1cnc(nc1)-c1ccccc1

InChI Key: InChIKey=JDJQHWNBEOGUML-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 4 hits for monomerid = 179381   

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
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM179381 (US9126973, 3) Show SMILES Cn1c(cnc1-c1ccccc1)-c1cnc(nc1)-c1ccccc1 Show InChI InChI=1S/C20H16N4/c1-24-18(14-23-20(24)16-10-6-3-7-11-16)17-12-21-19(22-13-17)15-8-4-2-5-9-15/h2-14H,1H3	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	625	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
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM179381 (US9126973, 3) Show SMILES Cn1c(cnc1-c1ccccc1)-c1cnc(nc1)-c1ccccc1 Show InChI InChI=1S/C20H16N4/c1-24-18(14-23-20(24)16-10-6-3-7-11-16)17-12-21-19(22-13-17)15-8-4-2-5-9-15/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	724	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM179381 (US9126973, 3) Show SMILES Cn1c(cnc1-c1ccccc1)-c1cnc(nc1)-c1ccccc1 Show InChI InChI=1S/C20H16N4/c1-24-18(14-23-20(24)16-10-6-3-7-11-16)17-12-21-19(22-13-17)15-8-4-2-5-9-15/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM179381 (US9126973, 3) Show SMILES Cn1c(cnc1-c1ccccc1)-c1cnc(nc1)-c1ccccc1 Show InChI InChI=1S/C20H16N4/c1-24-18(14-23-20(24)16-10-6-3-7-11-16)17-12-21-19(22-13-17)15-8-4-2-5-9-15/h2-14H,1H3	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	250	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