null

SMILES: ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1

InChI Key: InChIKey=IMWYYSDFZCXBLG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 54238   

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 protein 2 (Homo sapiens (Human))	BDBM54238 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-p...) Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.36E+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 protein 1 (Homo sapiens (Human))	BDBM54238 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-p...) Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.30E+3	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
Heat shock factor protein 1 (Mus musculus)	BDBM54238 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-p...) Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.28E+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
Hexokinase HKDC1 [W721R] (Homo sapiens (Human))	BDBM54238 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-p...) Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.00E+4	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 (2011) BindingDB Entry DOI: 10.7270/Q23F4N3R
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 (Homo sapiens (Human))	BDBM54238 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-p...) Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.95E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM54238 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-p...) Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.50E+3	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 (2011) BindingDB Entry DOI: 10.7270/Q22N50RJ
					More data for this Ligand-Target Pair
Hexokinase HKDC1 [W721R] (Homo sapiens (Human))	BDBM54238 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-p...) Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.57E+4	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 (2011) BindingDB Entry DOI: 10.7270/Q2W094D4
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54238 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-p...) Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.24E+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