Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.2 BDBM68030

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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68030 (4-(2,4-dichlorophenyl)-N-(3-pyridinylmethylideneam...) Show SMILES Clc1ccc(-c2csc(N=NCc3cccnc3)n2)c(Cl)c1 |w:9.8| Show InChI InChI=1S/C15H10Cl2N4S/c16-11-3-4-12(13(17)6-11)14-9-22-15(20-14)21-19-8-10-2-1-5-18-7-10/h1-7,9H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.30E+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)	BDBM68030 (4-(2,4-dichlorophenyl)-N-(3-pyridinylmethylideneam...) Show SMILES Clc1ccc(-c2csc(N=NCc3cccnc3)n2)c(Cl)c1 |w:9.8| Show InChI InChI=1S/C15H10Cl2N4S/c16-11-3-4-12(13(17)6-11)14-9-22-15(20-14)21-19-8-10-2-1-5-18-7-10/h1-7,9H,8H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.72E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68030 (4-(2,4-dichlorophenyl)-N-(3-pyridinylmethylideneam...) Show SMILES Clc1ccc(-c2csc(N=NCc3cccnc3)n2)c(Cl)c1 |w:9.8| Show InChI InChI=1S/C15H10Cl2N4S/c16-11-3-4-12(13(17)6-11)14-9-22-15(20-14)21-19-8-10-2-1-5-18-7-10/h1-7,9H,8H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.72E+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