Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 468.4 BDBM68028

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)	BDBM68028 (7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluor...) Show SMILES CC(C)Cn1c2N=C(CCC3CCCCC3)NC(c2c(=O)[nH]c1=O)(C(F)(F)F)C(F)(F)F |t:6| Show InChI InChI=1S/C20H26F6N4O2/c1-11(2)10-30-15-14(16(31)28-17(30)32)18(19(21,22)23,20(24,25)26)29-13(27-15)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,27,29)(H,28,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.24E+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)	BDBM68028 (7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluor...) Show SMILES CC(C)Cn1c2N=C(CCC3CCCCC3)NC(c2c(=O)[nH]c1=O)(C(F)(F)F)C(F)(F)F |t:6| Show InChI InChI=1S/C20H26F6N4O2/c1-11(2)10-30-15-14(16(31)28-17(30)32)18(19(21,22)23,20(24,25)26)29-13(27-15)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,27,29)(H,28,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.24E+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))	BDBM68028 (7-(2-Cyclohexyl-ethyl)-1-isobutyl-5,5-bis-trifluor...) Show SMILES CC(C)Cn1c2N=C(CCC3CCCCC3)NC(c2c(=O)[nH]c1=O)(C(F)(F)F)C(F)(F)F |t:6| Show InChI InChI=1S/C20H26F6N4O2/c1-11(2)10-30-15-14(16(31)28-17(30)32)18(19(21,22)23,20(24,25)26)29-13(27-15)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,27,29)(H,28,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.52E+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