BDBM96446 MLS000391903::SMR000260936::cid_2318621

SMILES: OCCCNc1ncc2c(n1)c(=O)c(C#N)c1[nH]c3ccccc3c(=O)n21

InChI Key: InChIKey=YUVIIXVJYUEYQG-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 = 96446   

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
Huntingtin (Homo sapiens (Human))	BDBM96446 (MLS000391903 | SMR000260936 | cid_2318621) Show SMILES OCCCNc1ncc2c(n1)c(=O)c(C#N)c1[nH]c3ccccc3c(=O)n21 Show InChI InChI=1S/C18H14N6O3/c19-8-11-15(26)14-13(9-21-18(23-14)20-6-3-7-25)24-16(11)22-12-5-2-1-4-10(12)17(24)27/h1-2,4-5,9,22,25H,3,6-7H2,(H,20,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2N58K09
					More data for this Ligand-Target Pair