BDBM34513 MLS000118887::N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridin-2-yl)acetamide::N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4,6-dimethyl-3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-2-yl)ethanamide::N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4,6-dimethyl-3-oxo-2-isothiazolo[5,4-b]pyridinyl)acetamide::N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide::SMR000095827::US9011882, Table 1, Compound 15::cid_5309169
SMILES: COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1
InChI Key: InChIKey=RYJAPIBOQYMFQJ-UHFFFAOYSA-N
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...) | BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.08E+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 | |||||||||||||
RGS7 (Homo sapiens (Human)) | BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.06E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PV6HS7 | |||||||||||
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G protein signalling regulator 19 (Homo sapiens (Human)) | BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2K35S27 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
regulator of G-protein signalling 16 (Homo sapiens (Human)) | BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FB51BW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimethylarginine dimethylaminohydrolase 1 (DDAH) (Homo sapiens (Human)) | BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Board of Trustees of the Leland Stanford Junior University US Patent | Assay Description The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m... | US Patent US9011882 (2015) BindingDB Entry DOI: 10.7270/Q2W957XP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
regulator of G-protein signaling 4 (Homo sapiens (Human)) | BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 6.58E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2F76B0G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human)) | BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.66E+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: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
large T antigen (Simian virus 40) | BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay | Assay Description A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M61HQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Regulator of G-protein signaling 8 (Homo sapiens (Human)) | BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.65E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TM78JD | |||||||||||
More data for this Ligand-Target Pair |