BDBM50034019 (S)-9-Bromo-4,11-diethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,8,12a-triaza-dibenzo[b,h]fluorene-3,13-dione::CHEMBL273734

SMILES: CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(Br)cc12

InChI Key: InChIKey=GCCWSDCUPUCRPC-NRFANRHFSA-N

Data: 1 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 1 hit for monomerid = 50034019   

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 I (Topo I) (Homo sapiens (Human))	BDBM50034019 ((S)-9-Bromo-4,11-diethyl-4-hydroxy-1,12-dihydro-4H...) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(Br)cc12 Show InChI InChI=1S/C21H18BrN3O4/c1-3-10-11-5-17(22)23-7-15(11)24-18-12(10)8-25-16(18)6-14-13(19(25)26)9-29-20(27)21(14,28)4-2/h5-7,28H,3-4,8-9H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Curated by ChEMBL					Assay Description In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.				J Med Chem 38: 1106-18 (1995) BindingDB Entry DOI: 10.7270/Q2X067P4
					More data for this Ligand-Target Pair