BDBM50412834 CHEMBL611784

SMILES: CCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1

InChI Key: InChIKey=CJMZGXOPUWWTCE-UHFFFAOYSA-N

Data: 1 KI

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 = 50412834   

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
2,3-dihydroxybenzoate-AMP ligase (Mycobacterium tuberculosis)	BDBM50412834 (CHEMBL611784) Show SMILES CCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 Show InChI InChI=1S/C24H29N9O8S/c1-2-3-4-7-13-10-33(31-29-13)24-27-20(25)17-21(28-24)32(12-26-17)23-19(36)18(35)16(41-23)11-40-42(38,39)30-22(37)14-8-5-6-9-15(14)34/h5-6,8-10,12,16,18-19,23,34-36H,2-4,7,11H2,1H3,(H,30,37)(H2,25,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MbtA expressed in Escherichia coli assessed as ATP-[32P]Ppi exchange				J Med Chem 51: 7495-507 (2009) Article DOI: 10.1021/jm8008037 BindingDB Entry DOI: 10.7270/Q2HH6M96
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