Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 335.3 BDBM80420Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM80420 (MLS000583669 | N-[3-(1,3-benzothiazol-2-yl)-2-meth...) Show SMILES Cc1c(NC(=O)c2nnc[nH]2)cccc1-c1nc2ccccc2s1 Show InChI InChI=1S/C17H13N5OS/c1-10-11(17-21-13-6-2-3-8-14(13)24-17)5-4-7-12(10)20-16(23)15-18-9-19-22-15/h2-9H,1H3,(H,20,23)(H,18,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.58E+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/Q24F1P6P
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM80420 (MLS000583669 | N-[3-(1,3-benzothiazol-2-yl)-2-meth...) Show SMILES Cc1c(NC(=O)c2nnc[nH]2)cccc1-c1nc2ccccc2s1 Show InChI InChI=1S/C17H13N5OS/c1-10-11(17-21-13-6-2-3-8-14(13)24-17)5-4-7-12(10)20-16(23)15-18-9-19-22-15/h2-9H,1H3,(H,20,23)(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.54E+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/Q2862DX0
					More data for this Ligand-Target Pair