BDBM34287 MLS000082957::SMR000046944::cid_665737

SMILES: CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12

InChI Key: InChIKey=VELGZPKQLVRKPE-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 34287   

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))	BDBM34287 (MLS000082957 | SMR000046944 | cid_665737) Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12 Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	7.0	22
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2F769WQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM34287 (MLS000082957 | SMR000046944 | cid_665737) Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12 Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a	8.0	23
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM34287 (MLS000082957 | SMR000046944 | cid_665737) Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12 Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.27E+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 MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q20863PV
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM34287 (MLS000082957 | SMR000046944 | cid_665737) Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12 Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.27E+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 MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2VH5M71
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM34287 (MLS000082957 | SMR000046944 | cid_665737) Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12 Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)	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 MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2125R2H
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM34287 (MLS000082957 | SMR000046944 | cid_665737) Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12 Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.16E+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 in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D6B
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM34287 (MLS000082957 | SMR000046944 | cid_665737) Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12 Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2M043S8
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM34287 (MLS000082957 | SMR000046944 | cid_665737) Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12 Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G73C2Z
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM34287 (MLS000082957 | SMR000046944 | cid_665737) Show SMILES CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12 Show InChI InChI=1S/C21H23N5O2S3/c1-12(2)30-20-23-19-17(14-7-3-4-8-15(14)31-19)18-24-25-21(26(18)20)29-11-16(27)22-10-13-6-5-9-28-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,22,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.28E+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 MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2QR4VH9
					More data for this Ligand-Target Pair