Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.4 BDBM68017Purchase

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))	BDBM68017 (2-(4-methylanilino)-N-[(3-phenoxyphenyl)methyliden...) Show SMILES Cc1ccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C22H21N3O2/c1-17-10-12-19(13-11-17)23-16-22(26)25-24-15-18-6-5-9-21(14-18)27-20-7-3-2-4-8-20/h2-15,23H,16H2,1H3,(H,25,26)	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)	BDBM68017 (2-(4-methylanilino)-N-[(3-phenoxyphenyl)methyliden...) Show SMILES Cc1ccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C22H21N3O2/c1-17-10-12-19(13-11-17)23-16-22(26)25-24-15-18-6-5-9-21(14-18)27-20-7-3-2-4-8-20/h2-15,23H,16H2,1H3,(H,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	360	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)	BDBM68017 (2-(4-methylanilino)-N-[(3-phenoxyphenyl)methyliden...) Show SMILES Cc1ccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C22H21N3O2/c1-17-10-12-19(13-11-17)23-16-22(26)25-24-15-18-6-5-9-21(14-18)27-20-7-3-2-4-8-20/h2-15,23H,16H2,1H3,(H,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	360	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