BDBM92888 Triazaspirobenzyl, 4

SMILES: COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(cc2)C(F)(F)F)C3=O)c2ccccc2)c(OC)c1

InChI Key: InChIKey=STMMMZJBACMEHB-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 92888   

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
Dihydrolipoyl dehydrogenase (Lpd) (Mycobacterium tuberculosis)	BDBM92888 (Triazaspirobenzyl, 4) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(cc2)C(F)(F)F)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C33H35F3N4O5/c1-44-26-12-13-27(28(20-26)45-2)30(42)38-18-15-32(16-19-38)31(43)39(22-40(32)25-6-4-3-5-7-25)21-29(41)37-17-14-23-8-10-24(11-9-23)33(34,35)36/h3-13,20H,14-19,21-22H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair