BDBM93081 Analogue of 1a, 2

SMILES: Nc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=HTIBHRPLOZXHDY-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 = 93081   

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)	BDBM93081 (Analogue of 1a, 2) Show SMILES Nc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.14E+3	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)