BDBM31720 (E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydroxy-ethylamino)-but-2-en-1-one::(E)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-(2-hydroxyethylamino)-2-buten-1-one::(E)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-(2-hydroxyethylamino)but-2-en-1-one::(E)-1-(4-chlorophenyl)-4,4,4-tris(fluoranyl)-3-(2-hydroxyethylamino)but-2-en-1-one::MLS000554262::SMR000146579::cid_5290338

SMILES: OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F

InChI Key: InChIKey=HIUXQWSRWPHUDV-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 31720   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM31720 ((E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydro...) Show SMILES OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F |w:3.2| Show InChI InChI=1S/C12H11ClF3NO2/c13-9-3-1-8(2-4-9)10(19)7-11(12(14,15)16)17-5-6-18/h1-4,18H,5-7H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					More data for this Ligand-Target Pair
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human))	BDBM31720 ((E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydro...) Show SMILES OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F |w:3.2| Show InChI InChI=1S/C12H11ClF3NO2/c13-9-3-1-8(2-4-9)10(19)7-11(12(14,15)16)17-5-6-18/h1-4,18H,5-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2MS3R62
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM31720 ((E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydro...) Show SMILES OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F |w:3.2| Show InChI InChI=1S/C12H11ClF3NO2/c13-9-3-1-8(2-4-9)10(19)7-11(12(14,15)16)17-5-6-18/h1-4,18H,5-7H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+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: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
					More data for this Ligand-Target Pair
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM31720 ((E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydro...) Show SMILES OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F |w:3.2| Show InChI InChI=1S/C12H11ClF3NO2/c13-9-3-1-8(2-4-9)10(19)7-11(12(14,15)16)17-5-6-18/h1-4,18H,5-7H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair