Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.4 BDBM67915

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)	BDBM67915 (MLS000549791 | N-[2-(cyclopentylamino)-2-keto-1-(2...) Show SMILES COc1cccc(c1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C Show InChI InChI=1S/C21H22N2O3S/c1-3-19(24)23(16-10-6-11-17(14-16)26-2)20(18-12-7-13-27-18)21(25)22-15-8-4-5-9-15/h1,6-7,10-15,20H,4-5,8-9H2,2H3,(H,22,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.71E+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)	BDBM67915 (MLS000549791 | N-[2-(cyclopentylamino)-2-keto-1-(2...) Show SMILES COc1cccc(c1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C Show InChI InChI=1S/C21H22N2O3S/c1-3-19(24)23(16-10-6-11-17(14-16)26-2)20(18-12-7-13-27-18)21(25)22-15-8-4-5-9-15/h1,6-7,10-15,20H,4-5,8-9H2,2H3,(H,22,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.71E+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))	BDBM67915 (MLS000549791 | N-[2-(cyclopentylamino)-2-keto-1-(2...) Show SMILES COc1cccc(c1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C Show InChI InChI=1S/C21H22N2O3S/c1-3-19(24)23(16-10-6-11-17(14-16)26-2)20(18-12-7-13-27-18)21(25)22-15-8-4-5-9-15/h1,6-7,10-15,20H,4-5,8-9H2,2H3,(H,22,25)	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