BDBM50343150 CHEMBL1773183::N1-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-N2-(2-methoxybenzyl)oxalamide

SMILES: COc1ccccc1CNC(=O)C(=O)NC(C)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1

InChI Key: InChIKey=AQVOLMMRADKDIA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50343150   

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
Protein Tyrosine Phosphatase PTPB (Mycobacterium tuberculosis)	BDBM50343150 (CHEMBL1773183 | N1-(1-(4-(4-fluorophenyl)piperazin...) Show SMILES COc1ccccc1CNC(=O)C(=O)NC(C)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1 Show InChI InChI=1S/C27H31FN4O3S/c1-19(30-27(34)26(33)29-18-20-6-3-4-7-23(20)35-2)25(24-8-5-17-36-24)32-15-13-31(14-16-32)22-11-9-21(28)10-12-22/h3-12,17,19,25H,13-16,18H2,1-2H3,(H,29,33)(H,30,34)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB (Mycobacterium tuberculosis)	BDBM50343150 (CHEMBL1773183 | N1-(1-(4-(4-fluorophenyl)piperazin...) Show SMILES COc1ccccc1CNC(=O)C(=O)NC(C)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1 Show InChI InChI=1S/C27H31FN4O3S/c1-19(30-27(34)26(33)29-18-20-6-3-4-7-23(20)35-2)25(24-8-5-17-36-24)32-15-13-31(14-16-32)22-11-9-21(28)10-12-22/h3-12,17,19,25H,13-16,18H2,1-2H3,(H,29,33)(H,30,34)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair