BDBM93054 TLM analog, 11

SMILES: C\C(C=C)=C/[C@@]1(C)SC(=O)C(C(=O)CCCCc2ccc(cc2)-c2ccccc2)C1=O

InChI Key: InChIKey=XJQYCNCLMDVHPJ-ALSKQQAQSA-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 = 93054   

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)	BDBM93054 (TLM analog, 11) Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)C(C(=O)CCCCc2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C27H28O3S/c1-4-19(2)18-27(3)25(29)24(26(30)31-27)23(28)13-9-8-10-20-14-16-22(17-15-20)21-11-6-5-7-12-21/h4-7,11-12,14-18,24H,1,8-10,13H2,2-3H3/b19-18+/t24?,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	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)	BDBM93054 (TLM analog, 11) Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)C(C(=O)CCCCc2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C27H28O3S/c1-4-19(2)18-27(3)25(29)24(26(30)31-27)23(28)13-9-8-10-20-14-16-22(17-15-20)21-11-6-5-7-12-21/h4-7,11-12,14-18,24H,1,8-10,13H2,2-3H3/b19-18+/t24?,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.64E+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