BDBM43201 (2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-(1-pyrrolidinylmethylamino)methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione::(2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-(pyrrolidin-1-ylmethylamino)methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione::(2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-(pyrrolidinomethylamino)methylene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione::(2Z,4S,6S,12aS)-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-2-[oxidanyl-(pyrrolidin-1-ylmethylamino)methylidene]-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione::MLS000028710::ROLITETRACYCLINE::SMR000058701::cid_6420073
SMILES: CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
InChI Key: InChIKey=PLDZOHPIBZVDLQ-ASDJQBJJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
glutathione S-transferase (Homo sapiens (Human)) | BDBM43201 ((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.14E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M61HPT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH). (Homo sapiens (Human)) | BDBM43201 ((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...) | PDB KEGG B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.43E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GBT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM43201 ((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.37E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2B27SQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RGS7 (Homo sapiens (Human)) | BDBM43201 ((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.35E+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 | |||||||||||||
regulator of G-protein signaling 4 (Homo sapiens (Human)) | BDBM43201 ((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...) | 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 | 1.18E+4 | 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 | |||||||||||||
G protein signalling regulator 19 (Homo sapiens (Human)) | BDBM43201 ((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...) | 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 | 7.53E+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)) | BDBM43201 ((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...) | 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 | 7.31E+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 | |||||||||||||
Regulator of G-protein signaling 8 (Homo sapiens (Human)) | BDBM43201 ((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...) | 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 | 7.06E+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/Q2TM78JD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human)) | BDBM43201 ((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686 | |||||||||||
More data for this Ligand-Target Pair |