Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.4 BDBM68021

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68021 (6-(1H-Benzoimidazol-2-ylsulfanylmethyl)-2-(4-methy...) Show SMILES Cc1nc(Nc2nc(CSc3nc4ccccc4[nH]3)cc(=O)[nH]2)nc2ccccc12 Show InChI InChI=1S/C21H17N7OS/c1-12-14-6-2-3-7-15(14)24-19(22-12)28-20-23-13(10-18(29)27-20)11-30-21-25-16-8-4-5-9-17(16)26-21/h2-10H,11H2,1H3,(H,25,26)(H2,22,23,24,27,28,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68021 (6-(1H-Benzoimidazol-2-ylsulfanylmethyl)-2-(4-methy...) Show SMILES Cc1nc(Nc2nc(CSc3nc4ccccc4[nH]3)cc(=O)[nH]2)nc2ccccc12 Show InChI InChI=1S/C21H17N7OS/c1-12-14-6-2-3-7-15(14)24-19(22-12)28-20-23-13(10-18(29)27-20)11-30-21-25-16-8-4-5-9-17(16)26-21/h2-10H,11H2,1H3,(H,25,26)(H2,22,23,24,27,28,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68021 (6-(1H-Benzoimidazol-2-ylsulfanylmethyl)-2-(4-methy...) Show SMILES Cc1nc(Nc2nc(CSc3nc4ccccc4[nH]3)cc(=O)[nH]2)nc2ccccc12 Show InChI InChI=1S/C21H17N7OS/c1-12-14-6-2-3-7-15(14)24-19(22-12)28-20-23-13(10-18(29)27-20)11-30-21-25-16-8-4-5-9-17(16)26-21/h2-10H,11H2,1H3,(H,25,26)(H2,22,23,24,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair