BindingDB PrimarySearch

null

SMILES: C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12

InChI Key: InChIKey=HARGZZNYNSYSGJ-JTQLQIEISA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50423877
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
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 90 mins by AlphaScreen assay				J Med Chem 60: 8257-8267 (2017) Article DOI: 10.1021/acs.jmedchem.6b01871 BindingDB Entry DOI: 10.7270/Q2377BWD
University of Pavia Curated by ChEMBL					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 3 hrs by REMSA method				J Med Chem 60: 8257-8267 (2017) Article DOI: 10.1021/acs.jmedchem.6b01871 BindingDB Entry DOI: 10.7270/Q2377BWD
University of Pavia Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 5211-7 (2005) Article DOI: 10.1021/acs.jmedchem.2c00303 BindingDB Entry DOI: 10.7270/Q2H70KWC
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
New York Structural Biology Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin)				ACS Med Chem Lett 4: 1091-6 (2013) Article DOI: 10.1021/ml400304w BindingDB Entry DOI: 10.7270/Q2VT1W2P
New York Structural Biology Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
TBA					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korean Research Institute of Biosciences and Biotechnology Curated by ChEMBL					Assay Description Inhibition of HIF1 activation in human AGS cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay				J Nat Prod 70: 1093-7 (2007) Article DOI: 10.1021/np060482d BindingDB Entry DOI: 10.7270/Q2BV7KDD
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korean Research Institute of Biosciences and Biotechnology Curated by ChEMBL					Assay Description Inhibition of HIF1 activation in human Hep3B cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay				J Nat Prod 70: 1093-7 (2007) Article DOI: 10.1021/np060482d BindingDB Entry DOI: 10.7270/Q2BV7KDD
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence assay				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This is a review article. Please point to the original journal.				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00409 BindingDB Entry DOI: 10.7270/Q2J1069F
TBA					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114143 BindingDB Entry DOI: 10.7270/Q28W3J9V
TBA					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113254 BindingDB Entry DOI: 10.7270/Q22Z19G8
TBA					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	750	-8.35	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
Mayo Clinic College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This is a review article. Please point to the original journal.				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00409 BindingDB Entry DOI: 10.7270/Q2J1069F
TBA					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE \| Dihydrotanshinone I \| acs.jmed...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York Structural Biology Center Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				ACS Med Chem Lett 4: 1091-6 (2013) Article DOI: 10.1021/ml400304w BindingDB Entry DOI: 10.7270/Q2VT1W2P
New York Structural Biology Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)