BDBM54394 2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulfanyl]-phenyl}-acetamide::2-chloranyl-N-[4-[4-(2-chloranylethanoylamino)phenyl]sulfanylphenyl]ethanamide::2-chloro-N-[4-[4-[(2-chloroacetyl)amino]phenyl]sulfanylphenyl]acetamide::2-chloro-N-[4-[[4-[(2-chloro-1-oxoethyl)amino]phenyl]thio]phenyl]acetamide::2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]thio]phenyl]acetamide::MLS000770022::SMR000434754::cid_1934236

SMILES: ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1

InChI Key: InChIKey=BNJPNTRUYDXTGI-UHFFFAOYSA-N

Data: 5 IC50  2 EC50

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 7 hits for monomerid = 54394   

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
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM54394 (2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulf...) Show SMILES ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54394 (2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulf...) Show SMILES ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM54394 (2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulf...) Show SMILES ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.68E+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
XBP1 (Homo sapiens (Human))	BDBM54394 (2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulf...) Show SMILES ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.90E+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)	BDBM54394 (2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulf...) Show SMILES ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.80E+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)	BDBM54394 (2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulf...) Show SMILES ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.80E+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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54394 (2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulf...) Show SMILES ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair