BDBM50388818 CHEMBL2062712

SMILES: CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O

InChI Key: InChIKey=YXOQBEDZYUTFGI-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50388818   

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 1 (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
TBA Curated by ChEMBL					Assay Description Inhibition of MKP1				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 6 (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	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
TBA Curated by ChEMBL					Assay Description Inhibition of MKP3				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDC25A				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	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	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDC25B				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
Cdc25C (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
TBA Curated by ChEMBL					Assay Description Inhibition of CDC25C				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of VHR				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	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	9.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDC25B in presence of 100 mM DTT				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDC25A in presence of 2 mM DTT				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDC25A in presence of 20 mM DTT				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDC25A in presence of 100 mM DTT				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	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	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDC25B in presence of 2 mM DTT				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	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	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDC25B in presence of 20 mM DTT				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50388818 (CHEMBL2062712) Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15| Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PTP1B				ACS Med Chem Lett 3: 294-298 (2012) Article DOI: 10.1021/ml2002778 BindingDB Entry DOI: 10.7270/Q2ZW1N0H
					More data for this Ligand-Target Pair