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SMILES: CCCC=C(C)c1cc(O)c2C[C@H]3[C@@](C)(CC[C@H]4O[C@H](CC[C@]34C)C(C)(O)C(O)=O)Oc2c1O

InChI Key: InChIKey=XCUSTPKJLLPHMY-NUPZPCAYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50384889   
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
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50384889
PNG
(CHEMBL2036061)
Show SMILES CCCC=C(C)c1cc(O)c2C[C@H]3[C@@](C)(CC[C@H]4O[C@H](CC[C@]34C)C(C)(O)C(O)=O)Oc2c1O |r,w:3.2|
Show InChI InChI=1S/C27H38O7/c1-6-7-8-15(2)16-13-18(28)17-14-19-25(3)11-9-21(27(5,32)24(30)31)33-20(25)10-12-26(19,4)34-23(17)22(16)29/h8,13,19-21,28-29,32H,6-7,9-12,14H2,1-5H3,(H,30,31)/t19-,20-,21-,25-,26-,27?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Biomedicinal Information Research Center (BIRC)

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 using 3'-phosphate-(4-methylumbelliferone)-thymidine as substrate after 180 mins by spectrophotometry

J Nat Prod 75: 764-7 (2012)


Article DOI: 10.1021/np2007389
BindingDB Entry DOI: 10.7270/Q2V9893K
More data for this
Ligand-Target Pair