BDBM50387974 CHEMBL2057830

SMILES: Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N

InChI Key: InChIKey=FKGLDYLQFIXPLH-CRKOOCFNSA-N

Data: 7 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 7 hits for monomerid = 50387974   

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
Dual specificity protein phosphatase 4 (Homo sapiens (Human))	BDBM50387974 (CHEMBL2057830) Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N |c:13,t:8| Show InChI InChI=1S/C18H12N4O4S/c19-15-12(7-9-1-6-13(24)14(25)8-9)16(26)20-18-22(15)21-17(27-18)10-2-4-11(23)5-3-10/h1-8,19,23-25H/b12-7+,19-15?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
Sejong University Curated by ChEMBL					Assay Description Inhibition of MKP2				Bioorg Med Chem Lett 22: 6333-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.081 BindingDB Entry DOI: 10.7270/Q2HT2QDC
					More data for this Ligand-Target Pair
Protein-tyrosine-phosphatase (Homo sapiens (Human))	BDBM50387974 (CHEMBL2057830) Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N |c:13,t:8| Show InChI InChI=1S/C18H12N4O4S/c19-15-12(7-9-1-6-13(24)14(25)8-9)16(26)20-18-22(15)21-17(27-18)10-2-4-11(23)5-3-10/h1-8,19,23-25H/b12-7+,19-15?	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis				Bioorg Med Chem Lett 22: 6333-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.081 BindingDB Entry DOI: 10.7270/Q2HT2QDC
					More data for this Ligand-Target Pair
Protein tyrosine phosphatase type IVA 1 (Homo sapiens (Human))	BDBM50387974 (CHEMBL2057830) Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N |c:13,t:8| Show InChI InChI=1S/C18H12N4O4S/c19-15-12(7-9-1-6-13(24)14(25)8-9)16(26)20-18-22(15)21-17(27-18)10-2-4-11(23)5-3-10/h1-8,19,23-25H/b12-7+,19-15?	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of PRL1				Bioorg Med Chem Lett 22: 6333-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.081 BindingDB Entry DOI: 10.7270/Q2HT2QDC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50387974 (CHEMBL2057830) Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N |c:13,t:8| Show InChI InChI=1S/C18H12N4O4S/c19-15-12(7-9-1-6-13(24)14(25)8-9)16(26)20-18-22(15)21-17(27-18)10-2-4-11(23)5-3-10/h1-8,19,23-25H/b12-7+,19-15?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha using [gamma32P]ATP by radiometric kinase assay				Bioorg Med Chem Lett 22: 4946-50 (2012) Article DOI: 10.1016/j.bmcl.2012.06.041 BindingDB Entry DOI: 10.7270/Q25Q4X5B
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2 (Homo sapiens (Human))	BDBM50387974 (CHEMBL2057830) Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N |c:13,t:8| Show InChI InChI=1S/C18H12N4O4S/c19-15-12(7-9-1-6-13(24)14(25)8-9)16(26)20-18-22(15)21-17(27-18)10-2-4-11(23)5-3-10/h1-8,19,23-25H/b12-7+,19-15?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of MEK2 using [gamma32P]ATP by radiometric kinase assay				Bioorg Med Chem Lett 22: 4946-50 (2012) Article DOI: 10.1016/j.bmcl.2012.06.041 BindingDB Entry DOI: 10.7270/Q25Q4X5B
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50387974 (CHEMBL2057830) Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N |c:13,t:8| Show InChI InChI=1S/C18H12N4O4S/c19-15-12(7-9-1-6-13(24)14(25)8-9)16(26)20-18-22(15)21-17(27-18)10-2-4-11(23)5-3-10/h1-8,19,23-25H/b12-7+,19-15?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of MEK1 using [gamma32P]ATP by radiometric kinase assay				Bioorg Med Chem Lett 22: 4946-50 (2012) Article DOI: 10.1016/j.bmcl.2012.06.041 BindingDB Entry DOI: 10.7270/Q25Q4X5B
					More data for this Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3 (Homo sapiens (Human))	BDBM50387974 (CHEMBL2057830) Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N |c:13,t:8| Show InChI InChI=1S/C18H12N4O4S/c19-15-12(7-9-1-6-13(24)14(25)8-9)16(26)20-18-22(15)21-17(27-18)10-2-4-11(23)5-3-10/h1-8,19,23-25H/b12-7+,19-15?	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of PRL3				Bioorg Med Chem Lett 22: 6333-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.081 BindingDB Entry DOI: 10.7270/Q2HT2QDC
					More data for this Ligand-Target Pair