BDBM50133496 (2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid::(R)-rosmarinic acid::CHEMBL324842::Rosmarinic acid, 2::US10688093, Compound rosmarinic acid::US11701353, rosmarinic acid::cid_5281792

SMILES c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O

InChI Key InChIKey=DOUMFZQKYFQNTF-UHFFFAOYSA-N

Data  2 KI  30 IC50  2 Kd  4 EC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50133496   

TargetIntegrase(Human immunodeficiency virus type 1)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 6.35E+4nMAssay Description:Inhibition of HIV1 integrase using labelled oligonucleotide substrate in presence of bovine serum albumin by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2020
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Max Planck Institute of Biochemistry

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of c-SRC SH2 domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetTyrosine-protein kinase Lck(Human)
Max Planck Institute of Biochemistry

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 5.50E+4nMAssay Description:Inhibition of LCK SH2 domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
Muroran Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataEC50:  2.03E+4nMAssay Description:Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2020
Entry Details Article
PubMed
Target17-beta-hydroxysteroid dehydrogenase type 2(Human)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 3.72E+3nMAssay Description:Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
Muroran Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 7.19E+4nMAssay Description:Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
Muroran Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataEC50:  5.72E+4nMAssay Description:Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells assessed as cell viability at 4 to 100 ug...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
Muroran Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataEC50:  6.81E+4nMAssay Description:Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HIV1 reverse transcriptaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2020
Entry Details Article
PubMed
TargetTranscription factor Jun(Human)
National Defense Medical Center, Taiwan

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 1.62E+4nMAssay Description:Inhibition of transcription factor AP-1 binding to oligonucleotide containing TPA-responsive element in TPA-activated human HeLa cells after 1 hr by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 550nMAssay Description:Inhibition of HIV1 His6-tagged integrase-human GST tagged LEDGF/p75 (373-442 residues) interaction after 30 mins by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 3.89E+3nMAssay Description:Inhibition of Rattus norvegicus (rat) lens aldose reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article

TargetTyrosine-protein kinase Fyn(Human)
Pathways Neuro Pharma

US Patent
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 1.30E+3nMAssay Description:The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details
Go to US Patent

TargetAlpha-synuclein(Human)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 210nMAssay Description:Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetUDP-galactopyranose mutase(Pseudomonas aeruginosa (g-Proteobacteria))
Guizhou University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataKd:  6.90E+4nMAssay Description:Inhibition of Klebsiella pneumoniae UGM expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetUDP-galactopyranose mutase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Guizhou University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataKd:  6.53E+5nMAssay Description:Inhibition of Mycobacterium tuberculosis UGM expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by fluorescence polarization a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Beijing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 2.09E+4nMAssay Description:Inhibition of LSD1 (unknown origin) by Spectra Max Paradigm Microplate Reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Beijing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 2.09E+4nMAssay Description:Inhibition of KDM1A (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetLinoleate 9S-lipoxygenase-4(Soybean)
University of Athens

LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 1.15E+6nMT: 2°CAssay Description:soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO. Each experiment of the in vitro assay wa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of strand transfer activity of HIV-1 integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetTransthyretin(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataEC50:  8.60E+3nMAssay Description:Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase Lck(Human)
Max Planck Institute of Biochemistry

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of binding to p56 Lck tyrosine kinase SH2 domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Rat)
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 2.72E+4nMAssay Description:Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
National Hellenic Research Foundation

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 3.91E+3nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetHyaluronidase-1(Human)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 5.45E+5nMAssay Description:Inhibition of hyaluronidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetPolyphenol oxidase 2(White button mushroom)
University of Tokushima

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of mushroom tyrosinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of 3'- processing activity of HIV-1 integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 2.03E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetTyrosine-protein kinase Fyn(Human)
Pathways Neuro Pharma

US Patent
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 1 umol/L ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase Fyn(Human)
Pathways Neuro Pharma

US Patent
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 1 umol/L ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase Fyn(Human)
Pathways Neuro Pharma

US Patent
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 10 umol/L ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase Fyn(Human)
Pathways Neuro Pharma

US Patent
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 6.30E+4nMAssay Description:Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 100 umol/L ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase Fyn(Human)
Pathways Neuro Pharma

US Patent
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 7.40E+4nMAssay Description:Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 10 umol/L ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase Fyn(Human)
Pathways Neuro Pharma

US Patent
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 100 umol/L ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase Fyn(Human)
Pathways Neuro Pharma

US Patent
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataKi:  7.50E+3nMAssay Description:Inhibition of human Fyn expressed in Sf9 cells at 10 umol/L by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase Fyn(Human)
Pathways Neuro Pharma

US Patent
LigandPNGBDBM50133496(Rosmarinic acid, 2 | cid_5281792 | CHEMBL324842 | ...)
Affinity DataKi:  1.02E+4nMAssay Description:Inhibition of human Fyn expressed in Sf9 cells at 30 umol/L by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed