BDBM93051 TLM analog, 8

SMILES: COC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O

InChI Key: InChIKey=HVZBKCZSQRQCCD-UPHFVGOQSA-N

Data: 1 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 93051   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-ketoacyl-ACP synthase (KasA) C171Q (Mycobacterium tuberculosis)	BDBM93051 (TLM analog, 8) Show SMILES COC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C12H14O4S/c1-5-7(2)6-12(3)9(13)8(10(14)16-4)11(15)17-12/h5-6,8H,1H2,2-4H3/b7-6+/t8?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair
Beta-ketoacyl-ACP synthase (KasA) (Mycobacterium tuberculosis)	BDBM93051 (TLM analog, 8) Show SMILES COC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C12H14O4S/c1-5-7(2)6-12(3)9(13)8(10(14)16-4)11(15)17-12/h5-6,8H,1H2,2-4H3/b7-6+/t8?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.14E+4	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair