BDBM48771 (Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)phenyl]thio]benzene-1,4-diol::(Z)-but-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol::2-({2-[(methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol::MLS000704381::SMR000230499::cid_15945829::maleic acid;2-[[2-(methylaminomethyl)phenyl]thio]hydroquinone

SMILES: CNCc1ccccc1Sc1cc(O)ccc1O

InChI Key: InChIKey=WHMZLIFZEPPXCW-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 48771   

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
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human))	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	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
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human))	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.35E+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
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.35E+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 (2011) BindingDB Entry DOI: 10.7270/Q2W094D4
					More data for this Ligand-Target Pair
Group III secretory phopholipase A2 (Homo sapiens (Human))	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	KEGG GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2CV4GCW
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.58E+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 (2011) BindingDB Entry DOI: 10.7270/Q23F4N3R
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.23E+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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	UniProtKB/TrEMBL 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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.45E+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/Q23T9FQ1
					More data for this Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.69E+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/Q2V12389
					More data for this Ligand-Target Pair