Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 277.3 BDBM46553Purchase

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

Found 5 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))	BDBM46553 ((6Z)-6-(4-anilino-6-methyl-1H-pyrimidin-2-ylidene)...) Show SMILES Cc1cc(Nc2ccccc2)nc(n1)-c1ccccc1O Show InChI InChI=1S/C17H15N3O/c1-12-11-16(19-13-7-3-2-4-8-13)20-17(18-12)14-9-5-6-10-15(14)21/h2-11,21H,1H3,(H,18,19,20)	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)	BDBM46553 ((6Z)-6-(4-anilino-6-methyl-1H-pyrimidin-2-ylidene)...) Show SMILES Cc1cc(Nc2ccccc2)nc(n1)-c1ccccc1O Show InChI InChI=1S/C17H15N3O/c1-12-11-16(19-13-7-3-2-4-8-13)20-17(18-12)14-9-5-6-10-15(14)21/h2-11,21H,1H3,(H,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	900	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)	BDBM46553 ((6Z)-6-(4-anilino-6-methyl-1H-pyrimidin-2-ylidene)...) Show SMILES Cc1cc(Nc2ccccc2)nc(n1)-c1ccccc1O Show InChI InChI=1S/C17H15N3O/c1-12-11-16(19-13-7-3-2-4-8-13)20-17(18-12)14-9-5-6-10-15(14)21/h2-11,21H,1H3,(H,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	900	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
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM46553 ((6Z)-6-(4-anilino-6-methyl-1H-pyrimidin-2-ylidene)...) Show SMILES Cc1cc(Nc2ccccc2)nc(n1)-c1ccccc1O Show InChI InChI=1S/C17H15N3O/c1-12-11-16(19-13-7-3-2-4-8-13)20-17(18-12)14-9-5-6-10-15(14)21/h2-11,21H,1H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2513WMG
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM46553 ((6Z)-6-(4-anilino-6-methyl-1H-pyrimidin-2-ylidene)...) Show SMILES Cc1cc(Nc2ccccc2)nc(n1)-c1ccccc1O Show InChI InChI=1S/C17H15N3O/c1-12-11-16(19-13-7-3-2-4-8-13)20-17(18-12)14-9-5-6-10-15(14)21/h2-11,21H,1H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2P26WJQ
					More data for this Ligand-Target Pair