Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 301.4 BDBM67864

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))	BDBM67864 (3-(4-tert-butylphenyl)-4-cyclopentyl-1H-1,2,4-tria...) Show SMILES CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1C1CCCC1 Show InChI InChI=1S/C17H23N3S/c1-17(2,3)13-10-8-12(9-11-13)15-18-19-16(21)20(15)14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.01E+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)	BDBM67864 (3-(4-tert-butylphenyl)-4-cyclopentyl-1H-1,2,4-tria...) Show SMILES CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1C1CCCC1 Show InChI InChI=1S/C17H23N3S/c1-17(2,3)13-10-8-12(9-11-13)15-18-19-16(21)20(15)14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.65E+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)	BDBM67864 (3-(4-tert-butylphenyl)-4-cyclopentyl-1H-1,2,4-tria...) Show SMILES CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1C1CCCC1 Show InChI InChI=1S/C17H23N3S/c1-17(2,3)13-10-8-12(9-11-13)15-18-19-16(21)20(15)14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.65E+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