BDBM50388538 CHEMBL507159

SMILES: COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O

InChI Key: InChIKey=WGEZAODXRMUXFG-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50388538   

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 phosphatase Cdc25B (Homo sapiens (Human))	BDBM50388538 (CHEMBL507159) Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50388538 (CHEMBL507159) Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50388538 (CHEMBL507159) Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50388538 (CHEMBL507159) Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair