Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'dTDP-4-dehydrorhamnose 3,5-epimerase' and Ligand = 'BDBM45527'   

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)	BDBM45527 ((4-methyl-2-oxidanylidene-chromen-7-yl) 3-[1,3-bis...) Show SMILES Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12 Show InChI InChI=1S/C21H15NO6/c1-12-10-19(24)28-17-11-13(6-7-14(12)17)27-18(23)8-9-22-20(25)15-4-2-3-5-16(15)21(22)26/h2-7,10-11H,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	177	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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