Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'N-acetyltransferase Eis' and Ligand = 'BDBM50017705'   

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
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O |c:16| Show InChI InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
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