BDBM50221011 CHEMBL76485

SMILES: C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N

InChI Key: InChIKey=SZDPLBCRGFLYCF-NWDGAFQWSA-N

Data: 3 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 3 hits for monomerid = 50221011   

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 topoisomerase II (Homo sapiens (Human))	BDBM50221011 (CHEMBL76485) Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N Show InChI InChI=1S/C20H25N3O4/c1-11-10-27-18-15(22-7-6-12(8-22)20(2,3)21)5-4-13-16(18)23(11)9-14(17(13)24)19(25)26/h4-5,9,11-12H,6-8,10,21H2,1-3H3,(H,25,26)/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against quinolone resistant gyrase in Escherichia coli				Bioorg Med Chem Lett 13: 2373-5 (2003) BindingDB Entry DOI: 10.7270/Q2862JN2
					More data for this Ligand-Target Pair
DNA topoisomerase II (Homo sapiens (Human))	BDBM50221011 (CHEMBL76485) Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N Show InChI InChI=1S/C20H25N3O4/c1-11-10-27-18-15(22-7-6-12(8-22)20(2,3)21)5-4-13-16(18)23(11)9-14(17(13)24)19(25)26/h4-5,9,11-12H,6-8,10,21H2,1-3H3,(H,25,26)/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against mammalian DNA topoisomerase II				Bioorg Med Chem Lett 13: 2373-5 (2003) BindingDB Entry DOI: 10.7270/Q2862JN2
					More data for this Ligand-Target Pair
DNA topoisomerase II (Homo sapiens (Human))	BDBM50221011 (CHEMBL76485) Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N Show InChI InChI=1S/C20H25N3O4/c1-11-10-27-18-15(22-7-6-12(8-22)20(2,3)21)5-4-13-16(18)23(11)9-14(17(13)24)19(25)26/h4-5,9,11-12H,6-8,10,21H2,1-3H3,(H,25,26)/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against wild type gyrase in Escherichia coli				Bioorg Med Chem Lett 13: 2373-5 (2003) BindingDB Entry DOI: 10.7270/Q2862JN2
					More data for this Ligand-Target Pair