Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 332.8 BDBM44990Purchase

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

Found 4 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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM44990 ((4-Chloro-benzylsulfanyl)-acetic acid (4-methyl-be...) Show SMILES Cc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1 |w:6.6| Show InChI InChI=1S/C17H17ClN2OS/c1-13-2-4-14(5-3-13)10-19-20-17(21)12-22-11-15-6-8-16(18)9-7-15/h2-10H,11-12H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.94E+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/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM44990 ((4-Chloro-benzylsulfanyl)-acetic acid (4-methyl-be...) Show SMILES Cc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1 |w:6.6| Show InChI InChI=1S/C17H17ClN2OS/c1-13-2-4-14(5-3-13)10-19-20-17(21)12-22-11-15-6-8-16(18)9-7-15/h2-10H,11-12H2,1H3,(H,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM44990 ((4-Chloro-benzylsulfanyl)-acetic acid (4-methyl-be...) Show SMILES Cc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1 |w:6.6| Show InChI InChI=1S/C17H17ClN2OS/c1-13-2-4-14(5-3-13)10-19-20-17(21)12-22-11-15-6-8-16(18)9-7-15/h2-10H,11-12H2,1H3,(H,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44990 ((4-Chloro-benzylsulfanyl)-acetic acid (4-methyl-be...) Show SMILES Cc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1 |w:6.6| Show InChI InChI=1S/C17H17ClN2OS/c1-13-2-4-14(5-3-13)10-19-20-17(21)12-22-11-15-6-8-16(18)9-7-15/h2-10H,11-12H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.44E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair