Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 246.3 BDBM50504360Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50504360 (CHEMBL4559690) Show SMILES CC(C)SC1=C(C)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O2S/c1-8(2)17-14-9(3)12(15)10-6-4-5-7-11(10)13(14)16/h4-8H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111719 BindingDB Entry DOI: 10.7270/Q2D221X9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50504360 (CHEMBL4559690) Show SMILES CC(C)SC1=C(C)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O2S/c1-8(2)17-14-9(3)12(15)10-6-4-5-7-11(10)13(14)16/h4-8H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50504360 (CHEMBL4559690) Show SMILES CC(C)SC1=C(C)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O2S/c1-8(2)17-14-9(3)12(15)10-6-4-5-7-11(10)13(14)16/h4-8H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50504360 (CHEMBL4559690) Show SMILES CC(C)SC1=C(C)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O2S/c1-8(2)17-14-9(3)12(15)10-6-4-5-7-11(10)13(14)16/h4-8H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Inhibition of recombinant Cdc25B (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111719 BindingDB Entry DOI: 10.7270/Q2D221X9
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50504360 (CHEMBL4559690) Show SMILES CC(C)SC1=C(C)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O2S/c1-8(2)17-14-9(3)12(15)10-6-4-5-7-11(10)13(14)16/h4-8H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Binding affinity to MKK7 (unknown origin) expressed in HEK293 cells assessed as dissociation constant by kinomescan method				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111719 BindingDB Entry DOI: 10.7270/Q2D221X9
					More data for this Ligand-Target Pair