Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 265.2 BDBM62942Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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))	BDBM62942 (4-Amino-6,8-dimethyl-2-trifluoromethyl-quinoline-3...) Show SMILES Cc1cc(C)c2nc(c(C#N)c(N)c2c1)C(F)(F)F Show InChI InChI=1S/C13H10F3N3/c1-6-3-7(2)11-8(4-6)10(18)9(5-17)12(19-11)13(14,15)16/h3-4H,1-2H3,(H2,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.57E+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)	BDBM62942 (4-Amino-6,8-dimethyl-2-trifluoromethyl-quinoline-3...) Show SMILES Cc1cc(C)c2nc(c(C#N)c(N)c2c1)C(F)(F)F Show InChI InChI=1S/C13H10F3N3/c1-6-3-7(2)11-8(4-6)10(18)9(5-17)12(19-11)13(14,15)16/h3-4H,1-2H3,(H2,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM62942 (4-Amino-6,8-dimethyl-2-trifluoromethyl-quinoline-3...) Show SMILES Cc1cc(C)c2nc(c(C#N)c(N)c2c1)C(F)(F)F Show InChI InChI=1S/C13H10F3N3/c1-6-3-7(2)11-8(4-6)10(18)9(5-17)12(19-11)13(14,15)16/h3-4H,1-2H3,(H2,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM62942 (4-Amino-6,8-dimethyl-2-trifluoromethyl-quinoline-3...) Show SMILES Cc1cc(C)c2nc(c(C#N)c(N)c2c1)C(F)(F)F Show InChI InChI=1S/C13H10F3N3/c1-6-3-7(2)11-8(4-6)10(18)9(5-17)12(19-11)13(14,15)16/h3-4H,1-2H3,(H2,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair