Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.9 BDBM67939Purchase

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67939 (3-(5-chloranyl-2-oxidanyl-phenyl)-3-phenyl-N-[(4-p...) Show SMILES CC(C)Oc1ccc(CNC(=O)CC(c2ccccc2)c2cc(Cl)ccc2O)cc1 Show InChI InChI=1S/C25H26ClNO3/c1-17(2)30-21-11-8-18(9-12-21)16-27-25(29)15-22(19-6-4-3-5-7-19)23-14-20(26)10-13-24(23)28/h3-14,17,22,28H,15-16H2,1-2H3,(H,27,29)	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67939 (3-(5-chloranyl-2-oxidanyl-phenyl)-3-phenyl-N-[(4-p...) Show SMILES CC(C)Oc1ccc(CNC(=O)CC(c2ccccc2)c2cc(Cl)ccc2O)cc1 Show InChI InChI=1S/C25H26ClNO3/c1-17(2)30-21-11-8-18(9-12-21)16-27-25(29)15-22(19-6-4-3-5-7-19)23-14-20(26)10-13-24(23)28/h3-14,17,22,28H,15-16H2,1-2H3,(H,27,29)	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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67939 (3-(5-chloranyl-2-oxidanyl-phenyl)-3-phenyl-N-[(4-p...) Show SMILES CC(C)Oc1ccc(CNC(=O)CC(c2ccccc2)c2cc(Cl)ccc2O)cc1 Show InChI InChI=1S/C25H26ClNO3/c1-17(2)30-21-11-8-18(9-12-21)16-27-25(29)15-22(19-6-4-3-5-7-19)23-14-20(26)10-13-24(23)28/h3-14,17,22,28H,15-16H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia 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/Q2NK3CGB
					More data for this Ligand-Target Pair