BindingDB PrimarySearch

BDBM50056922 1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-benzo[e]furo[3',4':3,4]benzo[b][1,4]dioxepine-11-carbaldehyde::CHEMBL173530::NSC-87511::Stictic acid::Stictic acid (StA), 1::cid_73677

SMILES: COc1cc(C)c2c(Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC2=O)c1C=O

InChI Key: InChIKey=SKCUFZLDTAYNBZ-UHFFFAOYSA-N

Data: 12 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50056922
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
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2VD6WW6
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	8.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BV7F1T
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J
SRMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 33 (Homo sapiens (Human))	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2B27SRF
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6 (Homo sapiens (Human))	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	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
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ [1-175] (Yersinia pestis)	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	7.0	25
Brookhaven National Laboratory					Assay Description The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...				Biochemistry 55: 1091-9 (2016) Article DOI: 10.1021/acs.biochem.5b00832 BindingDB Entry DOI: 10.7270/Q2CN72P1
Brookhaven National Laboratory					More data for this Ligand-Target Pair
Rho guanine nucleotide exchange factor 1 (Homo sapiens)	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of p115 DHPH22 domain (395 to 766 residues) (unknown origin) interaction with GDP-loaded His-tagged RhoA F25N mutant (1 to 180 residues) a...				J Nat Prod 81: 1610-1618 (2018) Article DOI: 10.1021/acs.jnatprod.8b00209 BindingDB Entry DOI: 10.7270/Q23T9KR4
Universit£ Paris-Saclay Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute 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 Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Francisella tularensis)	BDBM50056922 (1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	7.0	25
Brookhaven National Laboratory					Assay Description The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...				Biochemistry 55: 1091-9 (2016) Article DOI: 10.1021/acs.biochem.5b00832 BindingDB Entry DOI: 10.7270/Q2CN72P1
Brookhaven National Laboratory					More data for this Ligand-Target Pair