BDBM21628 Pyridine-3-carboxylate::methyl 6-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine-3-carboxylate::methyl 6-[3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl]pyridine-3-carboxylate

SMILES: COC(=O)c1ccc(nc1)-c1nnc([nH]1)-c1ccncc1

InChI Key: InChIKey=HFKAJYCGAFFKGL-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 = 21628   

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))	BDBM21628 (Pyridine-3-carboxylate | methyl 6-(3-pyridin-4-yl-...) Show SMILES COC(=O)c1ccc(nc1)-c1nnc([nH]1)-c1ccncc1 Show InChI InChI=1S/C14H11N5O2/c1-21-14(20)10-2-3-11(16-8-10)13-17-12(18-19-13)9-4-6-15-7-5-9/h2-8H,1H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.2	22
AstraZeneca					Assay Description The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-w...				J Med Chem 51: 2178-86 (2008) Article DOI: 10.1021/jm701509k BindingDB Entry DOI: 10.7270/Q2Z036FR
					More data for this Ligand-Target Pair