Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 447.5 BDBM68005

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))	BDBM68005 (1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylid...) Show SMILES CC(C)Cn1c2nnc(SCC(=O)N3C(C)Cc4ccccc34)n2c2ccccc2c1=O Show InChI InChI=1S/C24H25N5O2S/c1-15(2)13-27-22(31)18-9-5-7-11-20(18)29-23(27)25-26-24(29)32-14-21(30)28-16(3)12-17-8-4-6-10-19(17)28/h4-11,15-16H,12-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.44E+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)	BDBM68005 (1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylid...) Show SMILES CC(C)Cn1c2nnc(SCC(=O)N3C(C)Cc4ccccc34)n2c2ccccc2c1=O Show InChI InChI=1S/C24H25N5O2S/c1-15(2)13-27-22(31)18-9-5-7-11-20(18)29-23(27)25-26-24(29)32-14-21(30)28-16(3)12-17-8-4-6-10-19(17)28/h4-11,15-16H,12-14H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.60E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68005 (1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylid...) Show SMILES CC(C)Cn1c2nnc(SCC(=O)N3C(C)Cc4ccccc34)n2c2ccccc2c1=O Show InChI InChI=1S/C24H25N5O2S/c1-15(2)13-27-22(31)18-9-5-7-11-20(18)29-23(27)25-26-24(29)32-14-21(30)28-16(3)12-17-8-4-6-10-19(17)28/h4-11,15-16H,12-14H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.60E+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