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SMILES: COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12

InChI Key: InChIKey=BZDDKCBUKCZLGY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 78759   

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
Ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM78759 (6-amino-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-th...) Show SMILES COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C19H16N4O4S/c1-25-11-6-9(7-12(26-2)17(11)24)14-10(8-20)18(21)27-19-15(14)16(22-23-19)13-4-3-5-28-13/h3-7,10,14,21,24H,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.38E+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/Q2X34VX0
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Mus musculus (Mouse))	BDBM78759 (6-amino-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-th...) Show SMILES COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C19H16N4O4S/c1-25-11-6-9(7-12(26-2)17(11)24)14-10(8-20)18(21)27-19-15(14)16(22-23-19)13-4-3-5-28-13/h3-7,10,14,21,24H,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25D8Q92
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM78759 (6-amino-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-th...) Show SMILES COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C19H16N4O4S/c1-25-11-6-9(7-12(26-2)17(11)24)14-10(8-20)18(21)27-19-15(14)16(22-23-19)13-4-3-5-28-13/h3-7,10,14,21,24H,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+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 (2011) BindingDB Entry DOI: 10.7270/Q2Z31X54
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM78759 (6-amino-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-th...) Show SMILES COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C19H16N4O4S/c1-25-11-6-9(7-12(26-2)17(11)24)14-10(8-20)18(21)27-19-15(14)16(22-23-19)13-4-3-5-28-13/h3-7,10,14,21,24H,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.33E+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 (2011) BindingDB Entry DOI: 10.7270/Q2TB15DB
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM78759 (6-amino-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-th...) Show SMILES COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C19H16N4O4S/c1-25-11-6-9(7-12(26-2)17(11)24)14-10(8-20)18(21)27-19-15(14)16(22-23-19)13-4-3-5-28-13/h3-7,10,14,21,24H,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.47E+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/Q2SB4462
					More data for this Ligand-Target Pair