BDBM93080 Analogue of 1a, 1

SMILES: CCCCn1c(N)c(N(C)S(=O)(=O)c2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=BDLSZMGNNJOQJF-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 93080   

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
Glucose-1-phosphate thymidylyltransferase (RmlA) (Pseudomonas aeruginosa)	BDBM93080 (Analogue of 1a, 1) Show SMILES CCCCn1c(N)c(N(C)S(=O)(=O)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C15H20N4O4S/c1-3-4-10-19-13(16)12(14(20)17-15(19)21)18(2)24(22,23)11-8-6-5-7-9-11/h5-9H,3-4,10,16H2,1-2H3,(H,17,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews					Assay Description Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).				ACS Chem Biol 8: 387-96 (2013) Article DOI: 10.1021/cb300426u BindingDB Entry DOI: 10.7270/Q26D5RMP
					More data for this Ligand-Target Pair				3D Structure (crystal)