BDBM50071058 (2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-picene-2-carboxylic acid::CELASTROL::CHEMBL301982::cid_4274774
SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O
InChI Key InChIKey=SYLIRTRYLBYOBO-JJWQIEBTSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 40 hits for monomerid = 50071058
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Korea Research Institute Of Bioscience And Biotechnology
Curated by ChEMBL
Korea Research Institute Of Bioscience And Biotechnology
Curated by ChEMBL
Affinity DataKi: 4.20E+3nMAssay Description:Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plotMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens)
Zhengzhou University
Curated by ChEMBL
Zhengzhou University
Curated by ChEMBL
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of SHP2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.60E+3nMT: 2°CAssay Description:Purified recombinant rat MGL was prepared and enzyme activity was assayed. More data for this Ligand-Target Pair
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 2.14E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 3.02E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
TargetReceptor-interacting serine/threonine-protein kinase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
TargetTelomerase reverse transcriptase(Homo sapiens (Human))
Anhui Medical University
Curated by ChEMBL
Anhui Medical University
Curated by ChEMBL
Affinity DataIC50: 780nMAssay Description:Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISAMore data for this Ligand-Target Pair
Affinity DataEC50: 1.10E+3nMAssay Description:Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...More data for this Ligand-Target Pair
Affinity DataEC50: 2.60E+3nMAssay Description:Amplification of HSF1 transcriptional activity in human HeLa cells assessed as granule formation pretreated for 3 hrs by immunocytochemical stainingMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of recombinant SHP2More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 6(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataIC50: 2.78E+4nMAssay Description:Inhibition of recombinant SHP1More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataIC50: 1.32E+4nMAssay Description:Inhibition of recombinant PTP1BMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataIC50: 7.57E+4nMAssay Description:Inhibition of recombinant HePTPMore data for this Ligand-Target Pair
TargetL-ornithine N(5)-monooxygenase(Aspergillus fumigatus (Fungus))
Second Military Medical University
Curated by ChEMBL
Second Military Medical University
Curated by ChEMBL
Affinity DataIC50: 1.10E+4nMAssay Description:Non-competitive inhibition of Aspergillus fumigatus N-terminal 6His-tagged SidA expressed in Escherichia coli BL21 (DE3) using L-ornithine as substra...More data for this Ligand-Target Pair
TargetL-ornithine N(5)-monooxygenase(Aspergillus fumigatus (Fungus))
Second Military Medical University
Curated by ChEMBL
Second Military Medical University
Curated by ChEMBL
Affinity DataKd: 1.40E+3nMAssay Description:Non-competitive inhibition of Aspergillus fumigatus N-terminal 6His-tagged SidA expressed in Escherichia coli BL21 (DE3) by FP assayMore data for this Ligand-Target Pair
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of RGS17 (unknown origin) GAP activity in presence of GTP by malachite green dye based assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.05E+4nMAssay Description:Inhibition of wild type GST-tagged RGS17 (unknown origin) interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScre...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of RGS17 (unknown origin) C117A mutant interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScreen assayMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Korea Research Institute Of Bioscience And Biotechnology
Curated by ChEMBL
Korea Research Institute Of Bioscience And Biotechnology
Curated by ChEMBL
Affinity DataIC50: 1.03E+4nMAssay Description:Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 minsMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Xiamen University
Curated by ChEMBL
Xiamen University
Curated by ChEMBL
Affinity DataKd: 320nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged Nur77 LBD (367 to 598 residues) expressed in Escherichia coli BL21(DE3) incubated for 30 ...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Xiamen University
Curated by ChEMBL
Xiamen University
Curated by ChEMBL
Affinity DataKd: 290nMAssay Description:Binding affinity to purified Nur77 LBD (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein phosphatase eta(Homo sapiens (Human))
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Affinity DataIC50: 1.12E+5nMAssay Description:Inhibition of human PTPRJ (1019 to 1311 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins f...More data for this Ligand-Target Pair
TargetPhosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN(Homo sapiens (Human))
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Affinity DataIC50: 1.33E+4nMAssay Description:Inhibition of human PTEN (1 to 403 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins follow...More data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein phosphatase epsilon(Homo sapiens (Human))
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of human PTPRE (107 to 707 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins fol...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens)
Zhengzhou University
Curated by ChEMBL
Zhengzhou University
Curated by ChEMBL
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of human SHP2 (246 to 527 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins foll...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 6(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of human SHP1 (245 to 521 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins foll...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataKon: 0.000362M-1s-1Assay Description:Binding affinity to human N-terminal His6-tagged PTP1B catalytic domain (1 to 298 residues) expressed in Escherichia coli strain Rosetta2 (DE3) asses...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataKd: 6.08E+3nMAssay Description:Binding affinity to human N-terminal His6-tagged PTP1B catalytic domain (1 to 298 residues) expressed in Escherichia coli strain Rosetta2 (DE3) by sw...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of human N-terminal His6-tagged PTP1B catalytic domain (1 to 298 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Affinity DataIC50: 1.88E+4nMAssay Description:Inhibition of human N-terminal His6-tagged TCPTP catalytic domain (1 to 336 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataKoff: 59s-1Assay Description:Binding affinity to human N-terminal His6-tagged PTP1B catalytic domain (1 to 298 residues) expressed in Escherichia coli strain Rosetta2 (DE3) asses...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
H. Lee Moffitt Cancer Center And Research Institute
Curated by ChEMBL
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of human N-terminal His6-tagged PTP1B catalytic domain (1 to 393 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Helmholtz Zentrum M�Nchen
Curated by ChEMBL
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human N-terminal His6-tagged TCPTP catalytic domain (1 to 296 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...More data for this Ligand-Target Pair
Affinity DataIC50: 8.41E+3nMAssay Description:Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...More data for this Ligand-Target Pair
Affinity DataIC50: 250nMAssay Description:Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human Hep3B cells co-transfected with luciferase reporter plasmid containing six ...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Xiamen University
Curated by ChEMBL
Xiamen University
Curated by ChEMBL
Affinity DataKd: 290nMAssay Description:Binding affinity to Nur77 LBD (unknown origin) expressed in Escherichia coli incubated for 3 hrs by circular dichroism analysisMore data for this Ligand-Target Pair
TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: >6.66E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: 3.18E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair