BDBM65735 7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione::7-butyl-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione::7-butyl-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione::7-butyl-8-[[4-(3-chlorophenyl)piperazino]methyl]-1,3-dimethyl-xanthine::MLS-0004183.0001::cid_666267
SMILES: CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
InChI Key: InChIKey=CYKISVYTUCOJRU-UHFFFAOYSA-N
Data: 14 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
G-protein coupled receptor 35 (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.18E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TD9VS8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.21E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JW8CBM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor necrosis factor (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.69E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q29C6VV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled receptor 35 (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.94E+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 (SBMRI, San Diego CA... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2GT5KNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled receptor 35 (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.51E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2C24TWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled receptor 35 (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.70E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q279434F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase X, mitochondrial (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase 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 |
Indiana University Curated by ChEMBL | Assay Description Inhibition of recombinant human ALDH1B1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis... | J Med Chem 58: 1964-75 (2015) Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.41E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZS2TX1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor necrosis factor (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.35E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V1237V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase 1A1 (ALDH1A1) (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis... | J Med Chem 58: 1964-75 (2015) Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Retinal dehydrogenase 2 (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase 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 |
Indiana University Curated by ChEMBL | Assay Description Inhibition of recombinant human ALDH1A2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis... | J Med Chem 58: 1964-75 (2015) Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University Curated by ChEMBL | Assay Description Inhibition of recombinant human ALDH1A3 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis... | J Med Chem 58: 1964-75 (2015) Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase 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 |
Indiana University Curated by ChEMBL | Assay Description Inhibition of recombinant human ALDH2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis s... | J Med Chem 58: 1964-75 (2015) Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM65735 (7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.80E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23J3BDQ | |||||||||||
More data for this Ligand-Target Pair |