Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 240.6 BDBM47429Purchase

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

Found 7 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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM47429 (7-chloranyl-1,3,6-trimethyl-pteridine-2,4-dione | ...) Show SMILES Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O Show InChI InChI=1S/C9H9ClN4O2/c1-4-6(10)12-7-5(11-4)8(15)14(3)9(16)13(7)2/h1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20863Q9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM47429 (7-chloranyl-1,3,6-trimethyl-pteridine-2,4-dione | ...) Show SMILES Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O Show InChI InChI=1S/C9H9ClN4O2/c1-4-6(10)12-7-5(11-4)8(15)14(3)9(16)13(7)2/h1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2T15278
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM47429 (7-chloranyl-1,3,6-trimethyl-pteridine-2,4-dione | ...) Show SMILES Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O Show InChI InChI=1S/C9H9ClN4O2/c1-4-6(10)12-7-5(11-4)8(15)14(3)9(16)13(7)2/h1-3H3	KEGG UniProtKB/SwissProt 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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM47429 (7-chloranyl-1,3,6-trimethyl-pteridine-2,4-dione | ...) Show SMILES Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O Show InChI InChI=1S/C9H9ClN4O2/c1-4-6(10)12-7-5(11-4)8(15)14(3)9(16)13(7)2/h1-3H3	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM47429 (7-chloranyl-1,3,6-trimethyl-pteridine-2,4-dione | ...) Show SMILES Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O Show InChI InChI=1S/C9H9ClN4O2/c1-4-6(10)12-7-5(11-4)8(15)14(3)9(16)13(7)2/h1-3H3	KEGG UniProtKB/SwissProt 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/Q28C9TQN
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM47429 (7-chloranyl-1,3,6-trimethyl-pteridine-2,4-dione | ...) Show SMILES Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O Show InChI InChI=1S/C9H9ClN4O2/c1-4-6(10)12-7-5(11-4)8(15)14(3)9(16)13(7)2/h1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2XS5T0R
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM47429 (7-chloranyl-1,3,6-trimethyl-pteridine-2,4-dione | ...) Show SMILES Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O Show InChI InChI=1S/C9H9ClN4O2/c1-4-6(10)12-7-5(11-4)8(15)14(3)9(16)13(7)2/h1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair