BDBM14822 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1-propyl-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine::InterBioScreen compound 9

SMILES: CCCn1nc(nc1-c1nonc1N)-c1nonc1N

InChI Key: InChIKey=DGIPABZQVBYBEX-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 14822   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14822 (4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1-propyl-1H-1,...) Show SMILES CCCn1nc(nc1-c1nonc1N)-c1nonc1N Show InChI InChI=1S/C9H11N9O2/c1-2-3-18-9(5-7(11)17-20-15-5)12-8(13-18)4-6(10)16-19-14-4/h2-3H2,1H3,(H2,10,16)(H2,11,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				Bioorg Med Chem 14: 4792-802 (2006) Article DOI: 10.1016/j.bmc.2006.03.021 BindingDB Entry DOI: 10.7270/Q2S46Q6S
					More data for this Ligand-Target Pair				3D Structure (crystal)