BindingDB PrimarySearch

BDBM32017 (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride::(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride::(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride::(7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride::DAUNORUBICIN HYDROCHLORIDE::Daunorubicin::MLS000069508::SMR000058559::cid_62770

SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

InChI Key: InChIKey=STQGQHZAVUOBTE-VGBVRHCVSA-N

Data: 2 KI 12 IC50

PDB links: 16 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 32017
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
N-formyl peptide receptor 2 (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	>4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2NZ862K
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
N-formyl peptide receptor 2 (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	687	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/Q2TH8K3N
					More data for this Ligand-Target Pair
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	<781	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
RNA polymerase beta subunit (EC 2.7.7.6) (Escherichia coli)	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23N21T1
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	1.57E+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/Q26Q1VNZ
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	2.93E+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 Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	540	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/Q2319T8T
					More data for this Ligand-Target Pair
UvrD helicase (PfUDN) (Plasmodium falciparum)	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	8.0	37
International Centre for Genetic Engineering and Biotechnology					Assay Description The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...				BMC Biochem 15: 9 (2014) Article DOI: 10.1186/1471-2091-15-9 BindingDB Entry DOI: 10.7270/Q25H7F45
					More data for this Ligand-Target Pair
UvrD helicase (PfUDN) (Plasmodium falciparum)	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	8.0	37
International Centre for Genetic Engineering and Biotechnology					Assay Description Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...				BMC Biochem 15: 9 (2014) Article DOI: 10.1186/1471-2091-15-9 BindingDB Entry DOI: 10.7270/Q25H7F45
					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	>6.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2J67FB5
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	174	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
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	409	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/Q2PR7TCX
					More data for this Ligand-Target Pair