BDBM81347 L2037 (beta-lapachone)

SMILES: CN(N=O)c1ccc(O)c(O)c1

InChI Key: InChIKey=XAKAQCMEMMZUEO-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 81347   

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
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM81347 (L2037 (beta-lapachone)) Show SMILES CN(N=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	37
Duke University Medical Center					Assay Description In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase...				Chem Biol 15: 969-78 (2008) Article DOI: 10.1016/j.chembiol.2008.07.015 BindingDB Entry DOI: 10.7270/Q2DR2SZR
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM81347 (L2037 (beta-lapachone)) Show SMILES CN(N=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-32P-labeled N14Y DNA substrate incubated for 20 mins by PAGE analysis				Bioorg Med Chem 24: 5017-5027 (2016) Article DOI: 10.1016/j.bmc.2016.09.045
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM81347 (L2037 (beta-lapachone)) Show SMILES CN(N=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human Tdp1 using 5'-biotin-GATCTAAAAGACTT-pY-3' as substrate measured after 20 mins by AlphaScreen assay				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055
					More data for this Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease (Homo sapiens (Human))	BDBM81347 (L2037 (beta-lapachone)) Show SMILES CN(N=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay				Bioorg Med Chem 25: 2531-2544 (2017) Article DOI: 10.1016/j.bmc.2017.01.028 BindingDB Entry DOI: 10.7270/Q2P55R4B
					More data for this Ligand-Target Pair