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SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(cc4cc3Cn1c2=O)[N+]([O-])=O

InChI Key: InChIKey=XLHNAFUKOSPOAT-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50406993   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50406993
PNG
(CHEMBL2115022)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(cc4cc3Cn1c2=O)[N+]([O-])=O |r|
Show InChI InChI=1S/C20H15N3O6/c1-2-20(26)14-7-16-17-11(8-22(16)18(24)13(14)9-29-19(20)25)5-10-6-12(23(27)28)3-4-15(10)21-17/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
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PC cid
PC sid
UniChem

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PubMed
n/an/a 640n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells

J Med Chem 36: 2689-700 (1993)


BindingDB Entry DOI: 10.7270/Q2KP82RH
More data for this
Ligand-Target Pair