BDBM50517945 CHEMBL1973996

SMILES: OC(=O)c1nc2ccc(cc2nc1NCc1ccc(F)cc1)C(F)(F)F

InChI Key: InChIKey=HUDWVBGXXJRCNV-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 = 50517945   

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...)	BDBM50517945 (CHEMBL1973996) Show SMILES OC(=O)c1nc2ccc(cc2nc1NCc1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C17H11F4N3O2/c18-11-4-1-9(2-5-11)8-22-15-14(16(25)26)23-12-6-3-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281
					More data for this Ligand-Target Pair				3D Structure (crystal)