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BDBM37534 (2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;hydrochloride::(2E,4R,12aR)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;hydrochloride::(2E,4R,12aR)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;hydrochloride::(4R,12aS)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-diketo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride::MINOCYCLINE HYDROCHLORIDE::MLS000028367::SMR000058620::cid_6602603
SMILES: CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
InChI Key: InChIKey=ZZZRUAITSXLWBH-PGBZFOFMSA-N
Data: 6 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Huntingtin (Homo sapiens (Human)) | BDBM37534 ((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...) | PDB KEGG GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Molecular Screening Center Curated by PubChem BioAssay | Assay Description The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2SQ8XSH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NS3 (Hepatitis C virus) | BDBM37534 ((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.09E+5 | 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) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2XS5ST3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| lens epithelium-derived growth factor p75 (Homo sapiens (Human)) | BDBM37534 ((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.74E+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 (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2KD1WKS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bcl-2-like protein 1 (Homo sapiens (Human)) | BDBM37534 ((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...) | 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 | 1.09E+5 | 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 Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DF6PNW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| lens epithelium-derived growth factor p75 (Homo sapiens (Human)) | BDBM37534 ((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.53E+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 (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2Q52N9H | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM37534 ((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.39E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J67FCM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
