Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 310.3 BDBM70396

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

Found 3 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 artemis (Homo sapiens (Human))	BDBM70396 (6-amino-4-(3-furanyl)-3-thiophen-2-yl-2,4-dihydrop...) Show SMILES N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1ccoc1 Show InChI InChI=1S/C15H10N4O2S/c16-6-9-11(8-3-4-20-7-8)12-13(10-2-1-5-22-10)18-19-15(12)21-14(9)17/h1-5,7,9,11,17H,(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 CA...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2MC8XP5
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70396 (6-amino-4-(3-furanyl)-3-thiophen-2-yl-2,4-dihydrop...) Show SMILES N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1ccoc1 Show InChI InChI=1S/C15H10N4O2S/c16-6-9-11(8-3-4-20-7-8)12-13(10-2-1-5-22-10)18-19-15(12)21-14(9)17/h1-5,7,9,11,17H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.70E+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
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70396 (6-amino-4-(3-furanyl)-3-thiophen-2-yl-2,4-dihydrop...) Show SMILES N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1ccoc1 Show InChI InChI=1S/C15H10N4O2S/c16-6-9-11(8-3-4-20-7-8)12-13(10-2-1-5-22-10)18-19-15(12)21-14(9)17/h1-5,7,9,11,17H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.09E+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