BDBM50343351 4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-pyrrolidin-1-yl]-butan-1-one::CHEMBL1773975

SMILES: FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1

InChI Key: InChIKey=RQBFWGXMSPJGPK-SECBINFHSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50343351   

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
Transcriptional repressor EthR (EthR) (Mycobacterium tuberculosis)	BDBM50343351 (4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...) Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1 |r| Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair
Transcriptional repressor EthR (EthR) (Mycobacterium tuberculosis)	BDBM50343351 (4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...) Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1 |r| Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay				J Med Chem 55: 68-83 (2012) Article DOI: 10.1021/jm200825u BindingDB Entry DOI: 10.7270/Q2RX9CJW
					More data for this Ligand-Target Pair
Transcriptional repressor EthR (EthR) (Mycobacterium tuberculosis)	BDBM50343351 (4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...) Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1 |r| Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...				J Med Chem 55: 68-83 (2012) Article DOI: 10.1021/jm200825u BindingDB Entry DOI: 10.7270/Q2RX9CJW
					More data for this Ligand-Target Pair