BDBM93060 TLM analog, 17

SMILES: C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCn2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)C1=O

InChI Key: InChIKey=SFTNQHNZAPUJDO-RCOKJCLFSA-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 = 93060   

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)	BDBM93060 (TLM analog, 17) Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCn2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)C1=O |r| Show InChI InChI=1S/C30H32FN5O5S2/c1-4-20(2)17-30(3)27(37)26(29(39)42-30)7-5-6-16-36-19-24(33-35-36)18-32-28(38)21-8-12-23(13-9-21)34-43(40,41)25-14-10-22(31)11-15-25/h4,8-15,17,19,26,34H,1,5-7,16,18H2,2-3H3,(H,32,38)/b20-17+/t26?,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+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)	BDBM93060 (TLM analog, 17) Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCn2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)C1=O |r| Show InChI InChI=1S/C30H32FN5O5S2/c1-4-20(2)17-30(3)27(37)26(29(39)42-30)7-5-6-16-36-19-24(33-35-36)18-32-28(38)21-8-12-23(13-9-21)34-43(40,41)25-14-10-22(31)11-15-25/h4,8-15,17,19,26,34H,1,5-7,16,18H2,2-3H3,(H,32,38)/b20-17+/t26?,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+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