Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type IV secretion-like conjugative transfer relaxase protein TraI' and Ligand = 'BDBM50162816'   

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 IV secretion-like conjugative transfer relaxase protein TraI (Escherichia coli (strain SMS-3-5 / SECEC))	BDBM50162816 (CHEMBL180570 | Medronic acid | Methylene diphsphon...) Show SMILES OP(O)(=O)CP(O)(O)=O Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of Escherichia coli F plasmid TraI relaxase Y16F mutant assessed as oriT ssDNA cleavage by competitive inhibition assay				Proc Natl Acad Sci U S A 104: 12282-7 (2007) Article DOI: 10.1073/pnas.0702760104 BindingDB Entry DOI: 10.7270/Q2PK0JXD
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