Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 286.3 BDBM40297Purchase

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM40297 (1-(3,4-dimethylphenyl)-6-(methylthio)-2H-pyrazolo[...) Show SMILES CSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C14H14N4OS/c1-8-4-5-10(6-9(8)2)18-12-11(7-15-18)13(19)17-14(16-12)20-3/h4-7H,1-3H3,(H,16,17,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	870	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)	BDBM40297 (1-(3,4-dimethylphenyl)-6-(methylthio)-2H-pyrazolo[...) Show SMILES CSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C14H14N4OS/c1-8-4-5-10(6-9(8)2)18-12-11(7-15-18)13(19)17-14(16-12)20-3/h4-7H,1-3H3,(H,16,17,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	870	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))	BDBM40297 (1-(3,4-dimethylphenyl)-6-(methylthio)-2H-pyrazolo[...) Show SMILES CSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C14H14N4OS/c1-8-4-5-10(6-9(8)2)18-12-11(7-15-18)13(19)17-14(16-12)20-3/h4-7H,1-3H3,(H,16,17,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.52E+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
Ubiquitin carboxyl-terminal hydrolase BAP1 (Homo sapiens (Human))	BDBM40297 (1-(3,4-dimethylphenyl)-6-(methylthio)-2H-pyrazolo[...) Show SMILES CSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C14H14N4OS/c1-8-4-5-10(6-9(8)2)18-12-11(7-15-18)13(19)17-14(16-12)20-3/h4-7H,1-3H3,(H,16,17,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+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: Keith D. Wilkinson, Emory ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2KW5DFJ
					More data for this Ligand-Target Pair