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SMILES: OC1(CCBr)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O

InChI Key: InChIKey=MAQYQWZDOMEUJC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045386   
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))		BDBM50045386
PNG
((20RS)-4-(2-Bromo-ethyl)-4-hydroxy-1,12-dihydro-4H...)
Show SMILES OC1(CCBr)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1S/C20H15BrN2O4/c21-6-5-20(26)14-8-16-17-12(7-11-3-1-2-4-15(11)22-17)9-23(16)18(24)13(14)10-27-19(20)25/h1-4,7-8,26H,5-6,9-10H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.10E+3n/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