Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'dTDP-4-dehydrorhamnose 3,5-epimerase' and Ligand = 'BDBM30716'   

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
dTDP-4-dehydrorhamnose 3,5-epimerase (Mycobacterium tuberculosis H37Rv)	BDBM30716 (5-(1-amino-5-morpholino-6,7,8,9-tetrahydrothien[2,...) Show SMILES COC(=O)c1ccc(o1)-c1sc2nc(N3CCOCC3)c3CCCCc3c2c1N Show InChI InChI=1S/C21H23N3O4S/c1-26-21(25)15-7-6-14(28-15)18-17(22)16-12-4-2-3-5-13(12)19(23-20(16)29-18)24-8-10-27-11-9-24/h6-7H,2-5,8-11,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TD9VRT
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