BDBM50119305 CHEMBL3613837

SMILES: CC[NH+](CC)CC.[H][C@]12CS[C@@H](CCCCC(=O)[N-]S(=O)(=O)OC[C@@H]3CNC[C@@H](O3)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2

InChI Key: InChIKey=HNQHXKFVTOAGTL-SAUYLLLNSA-N

Data: 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 1 hit for monomerid = 50119305   

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
BirA bifunctional protein (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50119305 (CHEMBL3613837) Show SMILES CC[NH+](CC)CC.[H][C@]12CS[C@@H](CCCCC(=O)[N-]S(=O)(=O)OC[C@@H]3CNC[C@@H](O3)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C20H29N9O6S2.C6H15N/c21-18-17-19(24-9-23-18)29(10-25-17)15-6-22-5-11(35-15)7-34-37(32,33)28-14(30)4-2-1-3-13-16-12(8-36-13)26-20(31)27-16;1-4-7(5-2)6-3/h9-13,15-16,22H,1-8H2,(H5,21,23,24,26,27,28,30,31);4-6H2,1-3H3/t11-,12-,13-,15+,16-;/m0./s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.324	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv Biotin protein ligase expressed in Escherichia coli by ITC analysis				J Med Chem 58: 7349-69 (2015) BindingDB Entry DOI: 10.7270/Q21J9CMG
					More data for this Ligand-Target Pair