BDBM80227 3-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione::3-(7-methoxy-2-benzofuranyl)-4-methyl-1H-1,2,4-triazole-5-thione::3-(7-methoxybenzofuran-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione::MLS000706431::SMR000288483::cid_1092811

SMILES: COc1cccc2cc(oc12)-c1n[nH]c(=S)n1C

InChI Key: InChIKey=BVHRFZJKRUXLCX-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 = 80227   

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))	BDBM80227 (3-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1H-1,2,4-...) Show SMILES COc1cccc2cc(oc12)-c1n[nH]c(=S)n1C Show InChI InChI=1S/C12H11N3O2S/c1-15-11(13-14-12(15)18)9-6-7-4-3-5-8(16-2)10(7)17-9/h3-6H,1-2H3,(H,14,18)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM80227 (3-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1H-1,2,4-...) Show SMILES COc1cccc2cc(oc12)-c1n[nH]c(=S)n1C Show InChI InChI=1S/C12H11N3O2S/c1-15-11(13-14-12(15)18)9-6-7-4-3-5-8(16-2)10(7)17-9/h3-6H,1-2H3,(H,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.18E+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