BDBM50438918 CHEMBL2094689::DNDI1417416::US9073941, 606

SMILES: COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

InChI Key: InChIKey=MWQDYWIWJRWUBC-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 50438918   

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
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM50438918 (CHEMBL2094689 | DNDI1417416 | US9073941, 606) Show SMILES COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C15H15N5O4/c1-19-14(21)11-13(17-15(19)22)20(2)18-12(16-11)8-5-6-9(23-3)10(7-8)24-4/h5-7H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
					More data for this Ligand-Target Pair
Pyruvate dehydrogenase (PDH) (Mycobacterium tuberculosis)	BDBM50438918 (CHEMBL2094689 | DNDI1417416 | US9073941, 606) Show SMILES COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C15H15N5O4/c1-19-14(21)11-13(17-15(19)22)20(2)18-12(16-11)8-5-6-9(23-3)10(7-8)24-4/h5-7H,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd) (Mycobacterium tuberculosis)	BDBM50438918 (CHEMBL2094689 | DNDI1417416 | US9073941, 606) Show SMILES COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C15H15N5O4/c1-19-14(21)11-13(17-15(19)22)20(2)18-12(16-11)8-5-6-9(23-3)10(7-8)24-4/h5-7H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	960	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438918 (CHEMBL2094689 | DNDI1417416 | US9073941, 606) Show SMILES COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C15H15N5O4/c1-19-14(21)11-13(17-15(19)22)20(2)18-12(16-11)8-5-6-9(23-3)10(7-8)24-4/h5-7H,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	870	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
					More data for this Ligand-Target Pair