BDBM54326 3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide::3-bromo-N-[[(E)-1-methyl-3-phenyl-prop-2-enylidene]amino]benzamide::3-bromo-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide::MLS000709305::SMR000289972::cid_693260

SMILES: CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1

InChI Key: InChIKey=BAPJYUTWLYSJMH-UHFFFAOYSA-N

Data: 7 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 8 hits for monomerid = 54326   

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))	BDBM54326 (3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amin...) Show SMILES CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3| Show InChI InChI=1S/C17H15BrN2O/c1-13(10-11-14-6-3-2-4-7-14)19-20-17(21)15-8-5-9-16(18)12-15/h2-12H,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.70E+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))	BDBM54326 (3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amin...) Show SMILES CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3| Show InChI InChI=1S/C17H15BrN2O/c1-13(10-11-14-6-3-2-4-7-14)19-20-17(21)15-8-5-9-16(18)12-15/h2-12H,1H3,(H,20,21)	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	3.65E+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
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54326 (3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amin...) Show SMILES CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3| Show InChI InChI=1S/C17H15BrN2O/c1-13(10-11-14-6-3-2-4-7-14)19-20-17(21)15-8-5-9-16(18)12-15/h2-12H,1H3,(H,20,21)	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	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
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human))	BDBM54326 (3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amin...) Show SMILES CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3| Show InChI InChI=1S/C17H15BrN2O/c1-13(10-11-14-6-3-2-4-7-14)19-20-17(21)15-8-5-9-16(18)12-15/h2-12H,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.54E+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, CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20P0XHD
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54326 (3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amin...) Show SMILES CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3| Show InChI InChI=1S/C17H15BrN2O/c1-13(10-11-14-6-3-2-4-7-14)19-20-17(21)15-8-5-9-16(18)12-15/h2-12H,1H3,(H,20,21)	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	>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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54326 (3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amin...) Show SMILES CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3| Show InChI InChI=1S/C17H15BrN2O/c1-13(10-11-14-6-3-2-4-7-14)19-20-17(21)15-8-5-9-16(18)12-15/h2-12H,1H3,(H,20,21)	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	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/Q25M6443
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM54326 (3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amin...) Show SMILES CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3| Show InChI InChI=1S/C17H15BrN2O/c1-13(10-11-14-6-3-2-4-7-14)19-20-17(21)15-8-5-9-16(18)12-15/h2-12H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.66E+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/Q2NG4P4X
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM54326 (3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amin...) Show SMILES CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3| Show InChI InChI=1S/C17H15BrN2O/c1-13(10-11-14-6-3-2-4-7-14)19-20-17(21)15-8-5-9-16(18)12-15/h2-12H,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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