Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50384889'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50384889 (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/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/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
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