BindingDB PrimarySearch

null

SMILES: ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

InChI Key: InChIKey=HRIQVCCRXNQUAH-KPKJPENVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50332494
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Insulin receptor (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of INSR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	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 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of Flag tagged human recombinant HDAC3 expressed in Sf21 cells coexpressing SMRT DAD domain				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of Flag tagged human recombinant HDAC8 expressed in Sf21 cells				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PLK1 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABL1 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of CDK2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	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 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair