BDBM80054 2-[[4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid::2-[[4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid::2-[[4-[N'-(4-ethoxybenzylidene)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid::MLS002244890::SMR001308563::cid_3874439

SMILES: CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1

InChI Key: InChIKey=NRLKVQJKADBLCH-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 80054   

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
Beta-galactosidase (Escherichia coli)	BDBM80054 (2-[[4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-...) Show SMILES CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:9.9| Show InChI InChI=1S/C22H20N4O7S/c1-2-33-16-9-7-15(8-10-16)14-23-24-20-12-11-17(13-21(20)26(29)30)34(31,32)25-19-6-4-3-5-18(19)22(27)28/h3-13,25H,2,14H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
hypothetical protein SA1422 (Staphylococcus aureus subsp. aureus N315)	BDBM80054 (2-[[4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-...) Show SMILES CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:9.9| Show InChI InChI=1S/C22H20N4O7S/c1-2-33-16-9-7-15(8-10-16)14-23-24-20-12-11-17(13-21(20)26(29)30)34(31,32)25-19-6-4-3-5-18(19)22(27)28/h3-13,25H,2,14H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM80054 (2-[[4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-...) Show SMILES CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:9.9| Show InChI InChI=1S/C22H20N4O7S/c1-2-33-16-9-7-15(8-10-16)14-23-24-20-12-11-17(13-21(20)26(29)30)34(31,32)25-19-6-4-3-5-18(19)22(27)28/h3-13,25H,2,14H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.78E+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 (2012) BindingDB Entry DOI: 10.7270/Q2NC5ZRN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human))	BDBM80054 (2-[[4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-...) Show SMILES CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:9.9| Show InChI InChI=1S/C22H20N4O7S/c1-2-33-16-9-7-15(8-10-16)14-23-24-20-12-11-17(13-21(20)26(29)30)34(31,32)25-19-6-4-3-5-18(19)22(27)28/h3-13,25H,2,14H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.47E+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