BDBM54304 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester::2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester::MLS000374952::SMR000254306::[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate::[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate::cid_5679921

SMILES: Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br

InChI Key: InChIKey=FWUWEEVQZWOUJS-UHFFFAOYSA-N

Data: 8 IC50  1 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 9 hits for monomerid = 54304   

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))	BDBM54304 (2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [...) Show SMILES Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br Show InChI InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.41E+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))	BDBM54304 (2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [...) Show SMILES Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br Show InChI InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	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
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54304 (2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [...) Show SMILES Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br Show InChI InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+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 (2010) BindingDB Entry DOI: 10.7270/Q2Z899VD
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM54304 (2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [...) Show SMILES Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br Show InChI InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+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 (2010) BindingDB Entry DOI: 10.7270/Q2TH8K43
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54304 (2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [...) Show SMILES Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br Show InChI InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.89E+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 (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM54304 (2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [...) Show SMILES Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br Show InChI InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.95E+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/Q2TD9VS8
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM54304 (2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [...) Show SMILES Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br Show InChI InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.19E+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/Q2JW8CBM
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54304 (2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [...) Show SMILES Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br Show InChI InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+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 (2010) BindingDB Entry DOI: 10.7270/Q29C6VV1
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54304 (2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [...) Show SMILES Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br Show InChI InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+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 (2010) BindingDB Entry DOI: 10.7270/Q2PR7TDC
					More data for this Ligand-Target Pair