BDBM193700 Pyrimidin-4-one-1,2,3-triazole conjugate, 3a

SMILES: Cn1c(SCc2cn(nn2)-c2ccc(Br)cc2)nc(cc1=O)-c1ccccc1

InChI Key: InChIKey=BNDHBXDGIRGGKO-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 = 193700   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193700 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3a) Show SMILES Cn1c(SCc2cn(nn2)-c2ccc(Br)cc2)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H16BrN5OS/c1-25-19(27)11-18(14-5-3-2-4-6-14)22-20(25)28-13-16-12-26(24-23-16)17-9-7-15(21)8-10-17/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	744	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair