BDBM34219 3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-ethylsulfanyl)-3,7-dihydro-purine-2,6-dione::3-methyl-7-(3-phenylpropyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione::3-methyl-7-(3-phenylpropyl)-8-(2-piperidinoethylthio)xanthine::3-methyl-7-(3-phenylpropyl)-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione::MLS000032263::SMR000013048::cid_652142

SMILES: Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O

InChI Key: InChIKey=FKZHXROWVQMDAU-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 = 34219   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM34219 (3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-e...) Show SMILES Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C22H29N5O2S/c1-25-19-18(20(28)24-21(25)29)27(14-8-11-17-9-4-2-5-10-17)22(23-19)30-16-15-26-12-6-3-7-13-26/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,24,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.02E+4	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
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM34219 (3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-e...) Show SMILES Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C22H29N5O2S/c1-25-19-18(20(28)24-21(25)29)27(14-8-11-17-9-4-2-5-10-17)22(23-19)30-16-15-26-12-6-3-7-13-26/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,24,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+4	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 (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V12389
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM34219 (3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-e...) Show SMILES Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C22H29N5O2S/c1-25-19-18(20(28)24-21(25)29)27(14-8-11-17-9-4-2-5-10-17)22(23-19)30-16-15-26-12-6-3-7-13-26/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,24,28,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.42E+4	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 (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM34219 (3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-e...) Show SMILES Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C22H29N5O2S/c1-25-19-18(20(28)24-21(25)29)27(14-8-11-17-9-4-2-5-10-17)22(23-19)30-16-15-26-12-6-3-7-13-26/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,24,28,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+4	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 (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM34219 (3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-e...) Show SMILES Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C22H29N5O2S/c1-25-19-18(20(28)24-21(25)29)27(14-8-11-17-9-4-2-5-10-17)22(23-19)30-16-15-26-12-6-3-7-13-26/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,24,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.05E+4	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 (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KH0KWR
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM34219 (3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-e...) Show SMILES Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C22H29N5O2S/c1-25-19-18(20(28)24-21(25)29)27(14-8-11-17-9-4-2-5-10-17)22(23-19)30-16-15-26-12-6-3-7-13-26/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,24,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.49E+4	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 (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2DV1HGT
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM34219 (3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-e...) Show SMILES Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C22H29N5O2S/c1-25-19-18(20(28)24-21(25)29)27(14-8-11-17-9-4-2-5-10-17)22(23-19)30-16-15-26-12-6-3-7-13-26/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	570	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 (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2959G44
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM34219 (3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-e...) Show SMILES Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C22H29N5O2S/c1-25-19-18(20(28)24-21(25)29)27(14-8-11-17-9-4-2-5-10-17)22(23-19)30-16-15-26-12-6-3-7-13-26/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,24,28,29)	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	599	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 (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2T43RPN
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM34219 (3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-e...) Show SMILES Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C22H29N5O2S/c1-25-19-18(20(28)24-21(25)29)27(14-8-11-17-9-4-2-5-10-17)22(23-19)30-16-15-26-12-6-3-7-13-26/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,24,28,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.67E+4	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 (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23T9FQ1
					More data for this Ligand-Target Pair