BindingDB PrimarySearch

BDBM50056904 3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid::CHEMBL171637::NSC-685589::Physodic acid, 5::cid_65751::physodic acid

SMILES: CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC

InChI Key: InChIKey=KVTYWHGIZSCFLG-UHFFFAOYSA-N

Data: 10 IC50 4 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50056904
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
Kinesin-like protein KIF20B (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in Escherichia coli B...				J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Kinesin-like protein KIF20B (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in E...				J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Kinesin-like protein KIF20B (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Es...				J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of microtubule-stimulated ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assay				J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of basal ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assay				J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Kinesin-like protein KIF20B (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Escherichia coli BL...				J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Bethesda Curated by ChEMBL					Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1&2				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute-Bethesda Curated by ChEMBL					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TX3CSC
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.19E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M
					More data for this Ligand-Target Pair
streptokinase A precursor (Streptococcus pyogenes M1 GAS)	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6 (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University School of Medicine					Assay Description The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...				Chem Biol 19: 875-82 (2012) Article DOI: 10.1016/j.chembiol.2012.05.013 BindingDB Entry DOI: 10.7270/Q22B8WN0
Yale University School of Medicine					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Bethesda Curated by ChEMBL					Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1&2				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute-Bethesda Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Bethesda Curated by ChEMBL					Assay Description Inhibitory concentration of compound against disintegration (reversal of strand transfer)of HIV-1 integrase				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute-Bethesda Curated by ChEMBL					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM50056904 (3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.58E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X
					More data for this Ligand-Target Pair