Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.7 BDBM67903Purchase

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)	BDBM67903 ((4-chlorophenyl)(4-{[(2,4-dichlorophenyl)sulfanyl]...) Show SMILES OC1(CSc2ccc(Cl)cc2Cl)CCN(CC1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18Cl3NO2S/c20-14-3-1-13(2-4-14)18(24)23-9-7-19(25,8-10-23)12-26-17-6-5-15(21)11-16(17)22/h1-6,11,25H,7-10,12H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	300	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)	BDBM67903 ((4-chlorophenyl)(4-{[(2,4-dichlorophenyl)sulfanyl]...) Show SMILES OC1(CSc2ccc(Cl)cc2Cl)CCN(CC1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18Cl3NO2S/c20-14-3-1-13(2-4-14)18(24)23-9-7-19(25,8-10-23)12-26-17-6-5-15(21)11-16(17)22/h1-6,11,25H,7-10,12H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	300	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))	BDBM67903 ((4-chlorophenyl)(4-{[(2,4-dichlorophenyl)sulfanyl]...) Show SMILES OC1(CSc2ccc(Cl)cc2Cl)CCN(CC1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18Cl3NO2S/c20-14-3-1-13(2-4-14)18(24)23-9-7-19(25,8-10-23)12-26-17-6-5-15(21)11-16(17)22/h1-6,11,25H,7-10,12H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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