BDBM80321 4-(3-ethoxypropyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one::4-(3-ethoxypropyl)-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one::MLS001175342::SMR000588309::cid_2110924

SMILES: CCOCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O

InChI Key: InChIKey=IWTGZWFZSRRECN-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 2 hits for monomerid = 80321   

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
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM80321 (4-(3-ethoxypropyl)-1-sulfanylidene-2H-[1,2,4]triaz...) Show SMILES CCOCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O Show InChI InChI=1S/C14H16N4O2S/c1-2-20-9-5-8-17-12(19)10-6-3-4-7-11(10)18-13(17)15-16-14(18)21/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,21)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2CZ35ND
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM80321 (4-(3-ethoxypropyl)-1-sulfanylidene-2H-[1,2,4]triaz...) Show SMILES CCOCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O Show InChI InChI=1S/C14H16N4O2S/c1-2-20-9-5-8-17-12(19)10-6-3-4-7-11(10)18-13(17)15-16-14(18)21/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.54E+3	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6
					More data for this Ligand-Target Pair