Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 262.2 BDBM50504351Purchase

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

Found 6 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
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50504351 (CHEMBL100206) Show SMILES OC(=O)CCSC1=CC(=O)c2ccccc2C1=O |t:6| Show InChI InChI=1S/C13H10O4S/c14-10-7-11(18-6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MEK7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127203 BindingDB Entry DOI: 10.7270/Q2028W77
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50504351 (CHEMBL100206) Show SMILES OC(=O)CCSC1=CC(=O)c2ccccc2C1=O |t:6| Show InChI InChI=1S/C13H10O4S/c14-10-7-11(18-6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+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))	BDBM50504351 (CHEMBL100206) Show SMILES OC(=O)CCSC1=CC(=O)c2ccccc2C1=O |t:6| Show InChI InChI=1S/C13H10O4S/c14-10-7-11(18-6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	1.50E+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))	BDBM50504351 (CHEMBL100206) Show SMILES OC(=O)CCSC1=CC(=O)c2ccccc2C1=O |t:6| Show InChI InChI=1S/C13H10O4S/c14-10-7-11(18-6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	1.60E+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))	BDBM50504351 (CHEMBL100206) Show SMILES OC(=O)CCSC1=CC(=O)c2ccccc2C1=O |t:6| Show InChI InChI=1S/C13H10O4S/c14-10-7-11(18-6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,16)	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	1.60E+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))	BDBM50504351 (CHEMBL100206) Show SMILES OC(=O)CCSC1=CC(=O)c2ccccc2C1=O |t:6| Show InChI InChI=1S/C13H10O4S/c14-10-7-11(18-6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	230	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