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

Data  1 KI  30 IC50  5 Kd  2 EC50  1 Koff  1 Kon

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

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
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of SHP2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMonoglyceride lipase(Rattus norvegicus (Rat))
University Of California Irvine

LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails PCBioAssay
TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Affinity DataIC50:  3.81E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetReceptor-interacting serine/threonine-protein kinase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Affinity DataIC50: >205nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTelomerase reverse transcriptase(Homo sapiens (Human))
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetHeat shock factor protein 1(Homo sapiens (Human))
Cytrx

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetHeat shock factor protein 1(Homo sapiens (Human))
Cytrx

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of recombinant SHP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 6(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Affinity DataIC50:  2.78E+4nMAssay Description:Inhibition of recombinant SHP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Affinity DataIC50:  1.32E+4nMAssay Description:Inhibition of recombinant PTP1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Affinity DataIC50:  7.57E+4nMAssay Description:Inhibition of recombinant HePTPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-ornithine N(5)-monooxygenase(Aspergillus fumigatus (Fungus))
Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetL-ornithine N(5)-monooxygenase(Aspergillus fumigatus (Fungus))
Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetRegulator of G-protein signaling 17(Homo sapiens)
University Of Iowa

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetRegulator of G-protein signaling 17(Homo sapiens)
University Of Iowa

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetRegulator of G-protein signaling 17(Homo sapiens)
University Of Iowa

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Affinity DataKd:  290nMAssay Description:Binding affinity to purified Nur77 LBD (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein phosphatase eta(Homo sapiens (Human))
Helmholtz Zentrum M�Nchen

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein phosphatase epsilon(Homo sapiens (Human))
Helmholtz Zentrum M�Nchen

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 6(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Helmholtz Zentrum M�Nchen

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Helmholtz Zentrum M�Nchen

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Yanbian University

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails ArticlePubMed
TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails PCBioAssay
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50071058((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
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
In DepthDetails PCBioAssay