BDBM50169260 CHEMBL3805705

SMILES: C[C@H]1COC2(CCN(CC2)c2nc(=O)c3cc(cc(N=[N+]=[N-])c3s2)C(F)(F)F)O1

InChI Key: InChIKey=BXOYTROLGQRAES-VIFPVBQESA-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 = 50169260   

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...)	BDBM50169260 (CHEMBL3805705) Show SMILES C[C@H]1COC2(CCN(CC2)c2nc(=O)c3cc(cc(N=[N+]=[N-])c3s2)C(F)(F)F)O1 |r| Show InChI InChI=1S/C17H16F3N5O3S/c1-9-8-27-16(28-9)2-4-25(5-3-16)15-22-14(26)11-6-10(17(18,19)20)7-12(23-24-21)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis H37Rv DprE1 using FPR as substrate assessed as residual enzymatic activity preincubated for 10 m...				ACS Med Chem Lett 7: 266-70 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1NJP
					More data for this Ligand-Target Pair