BDBM38837 2-(2-phenylethyl)-4H-isoquinoline-1,3-dione::2-phenethyl-4H-isoquinoline-1,3-quinone::MLS000119149::SMR000096084::cid_713096

SMILES: O=C1Cc2ccccc2C(=O)N1CCc1ccccc1

InChI Key: InChIKey=IAHXZWGZTKAXQE-UHFFFAOYSA-N

Data: 16 IC50  3 EC50

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 19 hits for monomerid = 38837   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2GX48ZN
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc2...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25T3HWF
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2BG2MCP
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS A...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2X928QK
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in t...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2SJ1J08
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified i...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2NS0S8J
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2J101KZ
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DB806H
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q28K77GS
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.37E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2H993M3
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.48E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM38837 (2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q29K48M5
					More data for this Ligand-Target Pair