Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 300.3 BDBM70342

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
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70342 (6-amino-3-tert-butyl-4-(2-thienyl)-2,4-dihydroisox...) Show SMILES CC(C)(C)c1noc2N=C(N)C(C#N)C(c3cccs3)c12 |t:8| Show InChI InChI=1S/C15H16N4OS/c1-15(2,3)12-11-10(9-5-4-6-21-9)8(7-16)13(17)18-14(11)20-19-12/h4-6,8,10H,1-3H3,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	8.71E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70342 (6-amino-3-tert-butyl-4-(2-thienyl)-2,4-dihydroisox...) Show SMILES CC(C)(C)c1noc2N=C(N)C(C#N)C(c3cccs3)c12 |t:8| Show InChI InChI=1S/C15H16N4OS/c1-15(2,3)12-11-10(9-5-4-6-21-9)8(7-16)13(17)18-14(11)20-19-12/h4-6,8,10H,1-3H3,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.12E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair