Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type II restriction enzyme EcoRI' and Ligand = 'BDBM50250740'   

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
Type II restriction enzyme EcoRI (Escherichia coli)	BDBM50250740 ((2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-11-hydro...) Show SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3 |r,c:13,t:11| Show InChI InChI=1S/C46H58O7/c1-27(2)28(3)20-21-29(4)34-23-24-35-33-22-25-37-44(6,7)40(53-43(50)32-18-14-11-15-19-32)36(52-42(49)31-16-12-10-13-17-31)26-45(37,8)38(33)39(48)41(46(34,35)9)51-30(5)47/h10-19,24,27,29,34,36-37,39-41,48H,3,20-23,25-26H2,1-2,4-9H3/t29-,34-,36-,37+,39-,40+,41+,45+,46-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ECOR1				J Nat Prod 66: 1338-44 (2003) Article DOI: 10.1021/np030211s BindingDB Entry DOI: 10.7270/Q2GQ6XHC
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