Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.4 BDBM68203

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)	BDBM68203 (4-[[5-[[(1S)-2-tert-butoxy-2-keto-1-methyl-ethyl]c...) Show SMILES CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C21H26N4O6/c1-6-30-20(29)13-7-9-14(10-8-13)25-18(27)16-15(22-11-23-16)17(26)24-12(2)19(28)31-21(3,4)5/h7-12H,6H2,1-5H3,(H,22,23)(H,24,26)(H,25,27)/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.04E+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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68203 (4-[[5-[[(1S)-2-tert-butoxy-2-keto-1-methyl-ethyl]c...) Show SMILES CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C21H26N4O6/c1-6-30-20(29)13-7-9-14(10-8-13)25-18(27)16-15(22-11-23-16)17(26)24-12(2)19(28)31-21(3,4)5/h7-12H,6H2,1-5H3,(H,22,23)(H,24,26)(H,25,27)/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.04E+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/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68203 (4-[[5-[[(1S)-2-tert-butoxy-2-keto-1-methyl-ethyl]c...) Show SMILES CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C21H26N4O6/c1-6-30-20(29)13-7-9-14(10-8-13)25-18(27)16-15(22-11-23-16)17(26)24-12(2)19(28)31-21(3,4)5/h7-12H,6H2,1-5H3,(H,22,23)(H,24,26)(H,25,27)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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