Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.8 BDBM65152Purchase

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

Found 6 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))	BDBM65152 (2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...) Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	160	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)	BDBM65152 (2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...) Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM65152 (2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...) Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM65152 (2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...) Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2BZ64H1
					More data for this Ligand-Target Pair
Phospholipase A2 (Homo sapiens (Human))	BDBM65152 (2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...) Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q26M35BC
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM65152 (2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...) Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair