BDBM54356 2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl] ester::2-bromobenzoic acid [2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl] ester::MLS001033592::SMR000363995::[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-bromanylbenzoate::[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-bromobenzoate::cid_5057111

SMILES: Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1

InChI Key: InChIKey=DDYGZGMTWMFEHB-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 54356   

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))	BDBM54356 (2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanyl...) Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1 Show InChI InChI=1S/C20H22BrNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	36	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))	BDBM54356 (2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanyl...) Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1 Show InChI InChI=1S/C20H22BrNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3	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	2.00E+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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54356 (2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanyl...) Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1 Show InChI InChI=1S/C20H22BrNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3	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	313	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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54356 (2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanyl...) Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1 Show InChI InChI=1S/C20H22BrNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3	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	45.6	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/Q2PR7TDC
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM54356 (2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanyl...) Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1 Show InChI InChI=1S/C20H22BrNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3	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	<160	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
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54356 (2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanyl...) Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1 Show InChI InChI=1S/C20H22BrNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3	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	4.80E+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/Q2Z899VD
					More data for this Ligand-Target Pair