BDBM50201798 CHEMBL3944187

SMILES: CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3cccc(F)c3)N(C2=O)c2cccc(F)c2)c1C

InChI Key: InChIKey=UEVBIYHCXYFCCK-OGKQLAPOSA-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 = 50201798   

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 1B (Homo sapiens (Human))	BDBM50201798 (CHEMBL3944187) Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3cccc(F)c3)N(C2=O)c2cccc(F)c2)c1C Show InChI InChI=1S/C25H21F2N3O3S/c1-4-33-24(32)22-14(2)20(28-15(22)3)13-21-23(31)30(19-10-6-8-17(27)12-19)25(34-21)29-18-9-5-7-16(26)11-18/h5-13,28H,4H2,1-3H3/b21-13-,29-25-	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	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21-Conden plus (DE3) using pNPP as substrate				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50201798 (CHEMBL3944187) Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3cccc(F)c3)N(C2=O)c2cccc(F)c2)c1C Show InChI InChI=1S/C25H21F2N3O3S/c1-4-33-24(32)22-14(2)20(28-15(22)3)13-21-23(31)30(19-10-6-8-17(27)12-19)25(34-21)29-18-9-5-7-16(26)11-18/h5-13,28H,4H2,1-3H3/b21-13-,29-25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair