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 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1

InChI Key InChIKey=DOUMFZQKYFQNTF-WUTVXBCWSA-N

Data  2 KI  31 IC50  2 Kd  4 EC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50133496   

TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of strand transfer activity of HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Mogam Biotechnology Research Institute

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition of binding to p56 Lck tyrosine kinase SH2 domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Rattus norvegicus (Rat))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
National Hellenic Research Foundation

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  3.91E+3nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHyaluronidase-1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  5.45E+5nMAssay Description:Inhibition of hyaluronidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
University Of Tokushima

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  2.50E+5nMAssay Description:Inhibition of mushroom tyrosinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  9.00E+3nMAssay Description:Inhibition of 3'- processing activity of HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetTranscription factor Jun(Homo sapiens (Human))
National Defense Medical Center, Taiwan

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Max Planck Institute Of Biochemistry

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  2.60E+4nMAssay Description:Inhibition of c-SRC SH2 domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Mogam Biotechnology Research Institute

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  5.50E+4nMAssay Description:Inhibition of LCK SH2 domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  1.30E+3nMAssay Description:The ADP-Glo™ Kinase Assay is specifically designed to quantify kinase activity by measuring the ADP produced in the reaction The reaction buffer...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
Target17-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Universit£

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of HIV1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
Universit£

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
Universit£

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)TBA
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  3.89E+3nMAssay Description:Inhibition of Rattus norvegicus (rat) lens aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails US Patent
TargetAlpha-synuclein(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed
TargetUDP-galactopyranose mutase(Klebsiella pneumoniae)
Guizhou University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails PubMed
TargetUDP-galactopyranose mutase(Mycobacterium tuberculosis H37Rv)
Guizhou University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails PubMed
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Beijing University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails PubMed
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Beijing University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Affinity DataIC50:  2.09E+4nMAssay Description:Inhibition of KDM1A (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails PCBioAssay
TargetLinoleate 9S-lipoxygenase-4(Glycine max (Soybean) (Glycine hispida))
University Of Athens

LigandPNGBDBM50133496((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
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 DepthDetails ArticlePubMed