BDBM50341977 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid::CHEMBL1765360

SMILES: Cc1ccc(C)n1-c1ccc(O)cc1C(O)=O

InChI Key: InChIKey=BTNJQFIFTBDRAH-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50341977   

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)	BDBM50341977 (2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic a...) Show SMILES Cc1ccc(C)n1-c1ccc(O)cc1C(O)=O |(5.57,-.15,;4.1,-.62,;3.62,-2.09,;2.08,-2.09,;1.61,-.62,;.14,-.15,;2.86,.28,;2.85,1.82,;1.51,2.59,;1.51,4.14,;2.84,4.91,;2.84,6.45,;4.18,4.14,;4.18,2.59,;5.66,2.2,;6.75,3.29,;6.06,.71,)| Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis ptpA				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase (Mycobacterium tuberculosis)	BDBM50341977 (2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic a...) Show SMILES Cc1ccc(C)n1-c1ccc(O)cc1C(O)=O |(5.57,-.15,;4.1,-.62,;3.62,-2.09,;2.08,-2.09,;1.61,-.62,;.14,-.15,;2.86,.28,;2.85,1.82,;1.51,2.59,;1.51,4.14,;2.84,4.91,;2.84,6.45,;4.18,4.14,;4.18,2.59,;5.66,2.2,;6.75,3.29,;6.06,.71,)| Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Alliance for TB Drug Development (TB Alliance) Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpA				J Med Chem 56: 7755-60 (2013) Article DOI: 10.1021/jm400381v BindingDB Entry DOI: 10.7270/Q2000514
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50341977 (2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic a...) Show SMILES Cc1ccc(C)n1-c1ccc(O)cc1C(O)=O |(5.57,-.15,;4.1,-.62,;3.62,-2.09,;2.08,-2.09,;1.61,-.62,;.14,-.15,;2.86,.28,;2.85,1.82,;1.51,2.59,;1.51,4.14,;2.84,4.91,;2.84,6.45,;4.18,4.14,;4.18,2.59,;5.66,2.2,;6.75,3.29,;6.06,.71,)| Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair				3D Structure (crystal)