BDBM50363150 CHEMBL1946986

SMILES: FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=C\C(=O)c2ccc3OCOc3c2)o1

InChI Key: InChIKey=NRLCGJYDEHENOF-ZZXKWVIFSA-N

Data: 1 KI  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 3 hits for monomerid = 50363150   

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
Tyrosine-protein phosphatase yopH (Yersinia enterocolitica)	BDBM50363150 (CHEMBL1946986) Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=C\C(=O)c2ccc3OCOc3c2)o1 Show InChI InChI=1S/C21H12ClF3O4/c22-16-5-2-13(21(23,24)25)10-15(16)18-8-4-14(29-18)3-6-17(26)12-1-7-19-20(9-12)28-11-27-19/h1-10H,11H2/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.11E+4	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 Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis				Eur J Med Chem 64: 35-41 (2013) Article DOI: 10.1016/j.ejmech.2013.04.018 BindingDB Entry DOI: 10.7270/Q2R212R6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase yopH (Yersinia enterocolitica)	BDBM50363150 (CHEMBL1946986) Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=C\C(=O)c2ccc3OCOc3c2)o1 Show InChI InChI=1S/C21H12ClF3O4/c22-16-5-2-13(21(23,24)25)10-15(16)18-8-4-14(29-18)3-6-17(26)12-1-7-19-20(9-12)28-11-27-19/h1-10H,11H2/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.86E+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 Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by spectrophotometry				Eur J Med Chem 64: 35-41 (2013) Article DOI: 10.1016/j.ejmech.2013.04.018 BindingDB Entry DOI: 10.7270/Q2R212R6
					More data for this Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase (Mycobacterium tuberculosis)	BDBM50363150 (CHEMBL1946986) Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=C\C(=O)c2ccc3OCOc3c2)o1 Show InChI InChI=1S/C21H12ClF3O4/c22-16-5-2-13(21(23,24)25)10-15(16)18-8-4-14(29-18)3-6-17(26)12-1-7-19-20(9-12)28-11-27-19/h1-10H,11H2/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+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