BDBM50528121 CHEMBL4542398

SMILES: CC1(NC(=O)N(CC(=O)c2ccc(F)cc2O)C1=O)c1ccc(cc1)C#N

InChI Key: InChIKey=OVVPXKCRMROTBY-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 = 50528121   

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
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528121 (CHEMBL4542398) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2O)C1=O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H14FN3O4/c1-19(12-4-2-11(9-21)3-5-12)17(26)23(18(27)22-19)10-16(25)14-7-6-13(20)8-15(14)24/h2-8,24H,10H2,1H3,(H,22,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107
					More data for this Ligand-Target Pair