BDBM32006 1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione::MLS000076121::SMR000013433::cid_650462
SMILES: Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
InChI Key: InChIKey=JHRNUMVGSNJFOB-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 |
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Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.46E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide (Homo sapiens (Human)) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >2.50E+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 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2V986FT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ephrin type-B receptor 4 (Homo sapiens (Human)) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 8.40E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2KP80J0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is = -3 in the in vitro PLK1-PBD binding primary screen AID 693,... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Z036KJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.81E+3 | 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 List of compounds to be tested: Compounds that met the active criterion of Z-score is = -3 in the in vitro PLK1-PBD binding primary screen AID 693,... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2T72FVT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis Signal-regulating Kinase 1 (ASK1) (Homo sapiens (Human)) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NAS of Ukraine Curated by ChEMBL | Assay Description Competitive inhibition of human ASK1 | J Med Chem 54: 2680-6 (2011) Article DOI: 10.1021/jm200117h BindingDB Entry DOI: 10.7270/Q2ST7Q45 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta lactamase (Pseudomonas aeruginosa) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.39E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2S75DSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
beta-lactamase (Salmonella enterica subsp. enterica serovar Choler...) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 619 | 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 (2010) BindingDB Entry DOI: 10.7270/Q2NG4P3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.62E+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) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HT2MRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LANA (Human herpesvirus 8) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >7.50E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HH6HHN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM32006![]() (1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is = -3 in the in vitro PLK1-PBD binding primary screen AID 693,... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2N58JS6 | |||||||||||
More data for this Ligand-Target Pair |