BDBM50266344 CHEMBL4061762

SMILES: CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCC#C)c2cn1)-c1ccnc(C)c1

InChI Key: InChIKey=XSEHYVUOJSOPPX-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50266344   

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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266344 (CHEMBL4061762) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCC#C)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H23N5O3/c1-4-10-31-23(30)27-13-17-6-7-18(16-8-9-25-15(3)11-16)19-12-21(26-14-20(17)19)28-22(29)24-5-2/h1,6-9,11-12,14H,5,10,13H2,2-3H3,(H,27,30)(H2,24,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50266344 (CHEMBL4061762) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCC#C)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H23N5O3/c1-4-10-31-23(30)27-13-17-6-7-18(16-8-9-25-15(3)11-16)19-12-21(26-14-20(17)19)28-22(29)24-5-2/h1,6-9,11-12,14H,5,10,13H2,2-3H3,(H,27,30)(H2,24,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2-alpha				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair