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BDBM50292542 (1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4(9),5,7,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate::Corilagin::cid_15944801
SMILES: O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2
InChI Key: InChIKey=TUSDEZXZIZRFGC-ORQNFNANSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| YopH (Yersinia enterocolitica) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet  | Purchase MCE 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 Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C24TVC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| YopH (Yersinia enterocolitica) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE 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 Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2794330 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| YopH (Yersinia enterocolitica) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE 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 Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GT5KKS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Regulator of G-protein signaling 8 (Homo sapiens (Human)) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.75E+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 | |||||||||||||
| Valosin-containing protein (Homo sapiens (Human)) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE 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 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2513WMG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| cardiac alpha tropomyosin (Sus scrofa) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 677 | 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 (2011) BindingDB Entry DOI: 10.7270/Q2GQ6W7C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| G protein signalling regulator 19 (Homo sapiens (Human)) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.18E+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)) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 6.68E+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 | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Valosin-containing protein (Homo sapiens (Human)) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.20E+3 | 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 Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2P26WJQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| regulator of G-protein signaling 4 (Homo sapiens (Human)) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.12E+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 | |||||||||||||
| RGS7 (Homo sapiens (Human)) | BDBM50292542 ((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.15E+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 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
