BDBM59063 4-butyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one::4-butyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one::MLS001172798::SMR000595763::cid_2120114

SMILES: CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O

InChI Key: InChIKey=NURBAHNZLYZFMA-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 59063   

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
large T antigen (Simian virus 40)	BDBM59063 (4-butyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]q...) Show SMILES CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O Show InChI InChI=1S/C13H14N4OS/c1-2-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19/h4-7H,2-3,8H2,1H3,(H,15,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2ZK5F47
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM59063 (4-butyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]q...) Show SMILES CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O Show InChI InChI=1S/C13H14N4OS/c1-2-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19/h4-7H,2-3,8H2,1H3,(H,15,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.70E+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
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM59063 (4-butyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]q...) Show SMILES CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O Show InChI InChI=1S/C13H14N4OS/c1-2-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19/h4-7H,2-3,8H2,1H3,(H,15,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.90E+4	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 (2012) BindingDB Entry DOI: 10.7270/Q2Q52N7M
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM59063 (4-butyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]q...) Show SMILES CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O Show InChI InChI=1S/C13H14N4OS/c1-2-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19/h4-7H,2-3,8H2,1H3,(H,15,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	345	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 (2012) BindingDB Entry DOI: 10.7270/Q2TX3CZM
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM59063 (4-butyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]q...) Show SMILES CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O Show InChI InChI=1S/C13H14N4OS/c1-2-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19/h4-7H,2-3,8H2,1H3,(H,15,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.72E+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/Q25H7DV5
					More data for this Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM59063 (4-butyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]q...) Show SMILES CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O Show InChI InChI=1S/C13H14N4OS/c1-2-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19/h4-7H,2-3,8H2,1H3,(H,15,19)	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