null

SMILES: Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)s2)cc1Nc1ncc(s1)-c1cccnc1

InChI Key: InChIKey=XSKZXGROFJZYER-VQHVLOKHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50257209   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50257209 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...) Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)s2)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C23H19N5O3S2/c1-14-4-5-16(26-22(30)19-8-6-17(32-19)7-9-21(29)28-31)11-18(14)27-23-25-13-20(33-23)15-3-2-10-24-12-15/h2-13,31H,1H3,(H,25,27)(H,26,30)(H,28,29)/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257209 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...) Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)s2)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C23H19N5O3S2/c1-14-4-5-16(26-22(30)19-8-6-17(32-19)7-9-21(29)28-31)11-18(14)27-23-25-13-20(33-23)15-3-2-10-24-12-15/h2-13,31H,1H3,(H,25,27)(H,26,30)(H,28,29)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50257209 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...) Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)s2)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C23H19N5O3S2/c1-14-4-5-16(26-22(30)19-8-6-17(32-19)7-9-21(29)28-31)11-18(14)27-23-25-13-20(33-23)15-3-2-10-24-12-15/h2-13,31H,1H3,(H,25,27)(H,26,30)(H,28,29)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by liquid scintillation counting				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50257209 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...) Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)s2)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C23H19N5O3S2/c1-14-4-5-16(26-22(30)19-8-6-17(32-19)7-9-21(29)28-31)11-18(14)27-23-25-13-20(33-23)15-3-2-10-24-12-15/h2-13,31H,1H3,(H,25,27)(H,26,30)(H,28,29)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257209 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...) Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)s2)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C23H19N5O3S2/c1-14-4-5-16(26-22(30)19-8-6-17(32-19)7-9-21(29)28-31)11-18(14)27-23-25-13-20(33-23)15-3-2-10-24-12-15/h2-13,31H,1H3,(H,25,27)(H,26,30)(H,28,29)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair