BDBM50343151 CHEMBL1773184::N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N2-(1-(4-phenylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)oxalamide

SMILES: CC(NC(=O)C(=O)NCc1ccc2OCOc2c1)C(N1CCN(CC1)c1ccccc1)c1cccs1

InChI Key: InChIKey=GCRZWEPCVNKKLG-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 = 50343151   

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
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343151 (CHEMBL1773184 | N1-(benzo[d][1,3]dioxol-5-ylmethyl...) Show SMILES CC(NC(=O)C(=O)NCc1ccc2OCOc2c1)C(N1CCN(CC1)c1ccccc1)c1cccs1 Show InChI InChI=1S/C27H30N4O4S/c1-19(29-27(33)26(32)28-17-20-9-10-22-23(16-20)35-18-34-22)25(24-8-5-15-36-24)31-13-11-30(12-14-31)21-6-3-2-4-7-21/h2-10,15-16,19,25H,11-14,17-18H2,1H3,(H,28,32)(H,29,33)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.04E+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
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343151 (CHEMBL1773184 | N1-(benzo[d][1,3]dioxol-5-ylmethyl...) Show SMILES CC(NC(=O)C(=O)NCc1ccc2OCOc2c1)C(N1CCN(CC1)c1ccccc1)c1cccs1 Show InChI InChI=1S/C27H30N4O4S/c1-19(29-27(33)26(32)28-17-20-9-10-22-23(16-20)35-18-34-22)25(24-8-5-15-36-24)31-13-11-30(12-14-31)21-6-3-2-4-7-21/h2-10,15-16,19,25H,11-14,17-18H2,1H3,(H,28,32)(H,29,33)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+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