BDBM50363156 CHEMBL1946998

SMILES: OC(=O)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1

InChI Key: InChIKey=OCHBFKMZYRIYDH-KPKJPENVSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50363156   

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)	BDBM50363156 (CHEMBL1946998) Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C20H14O3/c21-19(12-7-14-5-8-16(9-6-14)20(22)23)18-11-10-15-3-1-2-4-17(15)13-18/h1-13H,(H,22,23)/b12-7+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by Lineweaver-Burk plot an...				J Med Chem 55: 390-402 (2012) Article DOI: 10.1021/jm2012062 BindingDB Entry DOI: 10.7270/Q2445MZ4
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50363156 (CHEMBL1946998) Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C20H14O3/c21-19(12-7-14-5-8-16(9-6-14)20(22)23)18-11-10-15-3-1-2-4-17(15)13-18/h1-13H,(H,22,23)/b12-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 DE3 using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetr...				J Med Chem 55: 390-402 (2012) Article DOI: 10.1021/jm2012062 BindingDB Entry DOI: 10.7270/Q2445MZ4
					More data for this Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase (Mycobacterium tuberculosis)	BDBM50363156 (CHEMBL1946998) Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C20H14O3/c21-19(12-7-14-5-8-16(9-6-14)20(22)23)18-11-10-15-3-1-2-4-17(15)13-18/h1-13H,(H,22,23)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry				J Med Chem 55: 390-402 (2012) Article DOI: 10.1021/jm2012062 BindingDB Entry DOI: 10.7270/Q2445MZ4
					More data for this Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB (Mycobacterium tuberculosis)	BDBM50363156 (CHEMBL1946998) Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C20H14O3/c21-19(12-7-14-5-8-16(9-6-14)20(22)23)18-11-10-15-3-1-2-4-17(15)13-18/h1-13H,(H,22,23)/b12-7+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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 Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry				J Med Chem 55: 390-402 (2012) Article DOI: 10.1021/jm2012062 BindingDB Entry DOI: 10.7270/Q2445MZ4
					More data for this Ligand-Target Pair