Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.8 BDBM67800

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))	BDBM67800 (6-Amino-4-(4-chloro-phenyl)-3-(2,5-dimethyl-thioph...) Show SMILES Cc1cc(c(C)s1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15ClN4OS/c1-9-7-13(10(2)26-9)17-16-15(11-3-5-12(20)6-4-11)14(8-21)18(22)25-19(16)24-23-17/h3-7,14-15,22H,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	640	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)	BDBM67800 (6-Amino-4-(4-chloro-phenyl)-3-(2,5-dimethyl-thioph...) Show SMILES Cc1cc(c(C)s1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15ClN4OS/c1-9-7-13(10(2)26-9)17-16-15(11-3-5-12(20)6-4-11)14(8-21)18(22)25-19(16)24-23-17/h3-7,14-15,22H,1-2H3,(H,23,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.36E+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)	BDBM67800 (6-Amino-4-(4-chloro-phenyl)-3-(2,5-dimethyl-thioph...) Show SMILES Cc1cc(c(C)s1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15ClN4OS/c1-9-7-13(10(2)26-9)17-16-15(11-3-5-12(20)6-4-11)14(8-21)18(22)25-19(16)24-23-17/h3-7,14-15,22H,1-2H3,(H,23,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.36E+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