Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.5 BDBM67891Purchase

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))	BDBM67891 (4-(4-tert-butylphenyl)-2-({3-nitrobenzoyl}amino)-5...) Show SMILES Cc1sc(NC(=O)c2cccc(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H23N3O4S/c1-13-18(14-8-10-16(11-9-14)23(2,3)4)19(20(24)27)22(31-13)25-21(28)15-6-5-7-17(12-15)26(29)30/h5-12H,1-4H3,(H2,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.21E+3	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)	BDBM67891 (4-(4-tert-butylphenyl)-2-({3-nitrobenzoyl}amino)-5...) Show SMILES Cc1sc(NC(=O)c2cccc(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H23N3O4S/c1-13-18(14-8-10-16(11-9-14)23(2,3)4)19(20(24)27)22(31-13)25-21(28)15-6-5-7-17(12-15)26(29)30/h5-12H,1-4H3,(H2,24,27)(H,25,28)	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)	BDBM67891 (4-(4-tert-butylphenyl)-2-({3-nitrobenzoyl}amino)-5...) Show SMILES Cc1sc(NC(=O)c2cccc(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H23N3O4S/c1-13-18(14-8-10-16(11-9-14)23(2,3)4)19(20(24)27)22(31-13)25-21(28)15-6-5-7-17(12-15)26(29)30/h5-12H,1-4H3,(H2,24,27)(H,25,28)	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