BDBM17292 (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol::17 beta-Estradiol::17α-ethinylestradiol::17beta-estradiol (E2)::CHEMBL135::CS336::ESTRADIOL::Estradiol-17 alpha::Ovocyclin::US9034854, E2::US9040509, E2::US9422324, E2::US9561238, E2::[2,4,6,7-3H]-17beta-estradiol::[2,4,6,7-3H]-E2::[3H]-estradiol::[3H]]estradiol

SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N

Data  35 KI  166 IC50  21 Kd  122 EC50

PDB links: 51 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 340 hits for monomerid = 17292   

TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.0150nMpH: 7.5Assay Description:The method employed was adapted from the scientific literature and described in detail by Osbourn et al. (1993, Biochemistry, 32, 6229-6236). Recombi...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.0150nM ΔG°:  -14.8kcal/molepH: 7.5 T: 2°CAssay Description:The method employed was adapted from the scientific literature and described in detail by Osboum et al. (1993, Biochemistry, 32, 6229-6236). Recombin...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.0150nM ΔG°:  -14.8kcal/molepH: 7.5 T: 2°CAssay Description:The method employed was adapted from the scientific literature and described in detail by Osbourn et al. (1993, Biochemistry, 32, 6229-6236). Recombi...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Le Centre Hospitalier Universitaire De Qu£Bec

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.113nMAssay Description:Apparent inhibition constant for estrogen receptor in Human Breast cancer cytosol in 2.5%DMFMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Le Centre Hospitalier Universitaire De Qu£Bec

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.120nMAssay Description:Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3.3%ethanolMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Le Centre Hospitalier Universitaire De Qu£Bec

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.138nMAssay Description:Inhibition of estradiol binding to estrogen receptor in Human Breast cancer cytosol (3.3% ethanol)More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.160nMAssay Description:Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Le Centre Hospitalier Universitaire De Qu£Bec

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.181nMAssay Description:Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 2.5%DMFMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.210nMpH: 7.5Assay Description:The method employed was adapted from the scientific literature and described in detail by Osbourn et al. (1993, Biochemistry, 32, 6229-6236). Recombi...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.210nM ΔG°:  -13.2kcal/molepH: 7.5 T: 2°CAssay Description:The method employed was adapted from the scientific literature and described in detail by Osboum et al. (1993, Biochemistry, 32, 6229-6236). Recombin...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.210nM ΔG°:  -13.2kcal/molepH: 7.5 T: 2°CAssay Description:The method employed was adapted from the scientific literature and described in detail by Osbourn et al. (1993, Biochemistry, 32, 6229-6236). Recombi...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.300nMAssay Description:Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACSMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.380nMAssay Description:Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACSMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  0.650nMAssay Description:Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity to human ERalpha by competitive fluorometric receptor binding assayMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assayMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assayMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  2nMAssay Description:Binding affinity for human estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  2.20nMAssay Description:Ability to displace [3H]-17-beta-estradiol from Estrogen receptor alpha by scintillation proximity assay.More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  3.20nMAssay Description:Binding affinity for human estrogen receptor betaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  3.5nMAssay Description:Ability to displace [3H]-17-beta-estradiol from Estrogen receptor beta by scintillation proximity assay.More data for this Ligand-Target Pair
TargetG-protein coupled estrogen receptor 1(Homo sapiens (Human))
University Of New Mexico Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  5.70nMAssay Description:Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled estrogen receptor 1(Homo sapiens (Human))
University Of New Mexico Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  5.70nMAssay Description:Inhibition of estrogen binding to GPR30 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled estrogen receptor 1(Homo sapiens (Human))
University Of New Mexico Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  9nMAssay Description:Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  12nMAssay Description:Binding affinity to ERalphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  100nMAssay Description:Binding affinity for human estrogen receptor alpha by displacement of [3H]-estradiolMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  100nMAssay Description:Relative binding affinity for human estrogen receptor betacompared to [3H]-estradiolMore data for this Ligand-Target Pair
TargetAldehyde oxidase(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  870nMAssay Description:Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition of human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate after 20 mins in presence of NADP by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier organic anion transporter family member(Danio rerio (Zebrafish))
Rudjer Boskovic Institute

LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  2.83E+3nMAssay Description:In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of rat aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  4.40E+3nMAssay Description:Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as enzyme-substrate complex by Lineweaver-Burk pl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1A1(Rattus norvegicus)
Albert Einstein College Of Medicine

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  4.70E+3nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member(Danio rerio (Zebrafish))
Rudjer Boskovic Institute

LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  5.93E+3nMAssay Description:In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCorticosteroid-binding globulin(Homo sapiens)
Nippon Zoki Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  1.00E+4nMAssay Description:Binding affinity to human CBG receptor (corticosteroid-binding globulins)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.20nMpH: 7.6 T: 2°CAssay Description:Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.40nMpH: 7.6 T: 2°CAssay Description:Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  28nMpH: 7.4 T: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  24nMT: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  28nMpH: 7.4 T: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  10nM EC50:  0.590nMAssay Description:Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  11nM EC50:  0.840nMAssay Description:Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  24nMT: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  24nM EC50:  0.0200nMpH: 7.4 T: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  24nM EC50:  0.0700nMpH: 7.4 T: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
TargetUncharacterized PhzA/B-like protein PA3332(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
D3R/Abbott

LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKd:  1.90E+4nMAssay Description:CSAR Thermofluor_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.90nMT: 2°CAssay Description:Estrogen receptor-negative CV-1 kidney cells are maintained in Dulbecco's modified Eagle's medium with 4.5 g/L glucose supplemented with 10% fetal bo...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Donesta Bioscience

US Patent
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.70nMT: 2°CAssay Description:Estrogen receptor-negative CV-1 kidney cells are maintained in Dulbecco's modified Eagle's medium with 4.5 g/L glucose supplemented with 10% fetal bo...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Instituto PolitéCnico Nacional 2508

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  3nMAssay Description:Displacement of [3H]17-beta-estradiol from human Estrogen receptor alphaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Le Centre Hospitalier Universitaire De Qu£Bec

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  0.0100nMAssay Description:In vitro inhibition of estrogen-stimulated MCF-7 cell proliferationMore data for this Ligand-Target Pair
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