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BDBM50034024 ((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-8-oxy-3,4,12,13-tetrahydro-1H-2-oxa-6,8,12a-triaza-dibenzo[b,h]fluoren-9-ylmethyl)-carbamic acid tert-butyl ester::CHEMBL13227

SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CNC(=O)OC(C)(C)C)cc4c(C)c3Cn1c2=O

InChI Key: InChIKey=DLLCWBVHUWXLGR-SANMLTNESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50034024   
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 I (Topo I)


(Homo sapiens (Human))		BDBM50034024
PNG
(((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-8-oxy-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CNC(=O)OC(C)(C)C)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C26H28N4O7/c1-6-26(34)18-8-20-21-16(10-29(20)22(31)17(18)12-36-23(26)32)13(2)15-7-14(30(35)11-19(15)28-21)9-27-24(33)37-25(3,4)5/h7-8,11,34H,6,9-10,12H2,1-5H3,(H,27,33)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 217n/an/an/an/an/an/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