BDBM50466480 CHEMBL4280931

SMILES: S=C(N\N=C\c1ccc2OCOc2c1)Nc1cccc2ccccc12

InChI Key: InChIKey=VMHFHMUETQGPBD-RGVLZGJSSA-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 = 50466480   

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
Probable low molecular weight protein-tyrosine-phosphatase (Mycobacterium tuberculosis)	BDBM50466480 (CHEMBL4280931) Show SMILES S=C(N\N=C\c1ccc2OCOc2c1)Nc1cccc2ccccc12 Show InChI InChI=1S/C19H15N3O2S/c25-19(21-16-7-3-5-14-4-1-2-6-15(14)16)22-20-11-13-8-9-17-18(10-13)24-12-23-17/h1-11H,12H2,(H2,21,22,25)/b20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
					More data for this Ligand-Target Pair