Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH]' and Ligand = 'BDBM50481819'   

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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50481819 (CHEMBL5291250) Show SMILES CC(=O)Nc1ccc(\C=N\CCc2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C18H20N2O3S/c1-14(21)20-17-7-3-16(4-8-17)13-19-12-11-15-5-9-18(10-6-15)24(2,22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)/b19-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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