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SMILES CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

InChI Key InChIKey=MQYXUWHLBZFQQO-QGTGJCAVSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50377927   

LigandPNGBDBM50377927(Clerodol | Fagarasterol | Farganasterol | LUPEOL |...)copy SMILEScopy InChI
Affinity DataKi:  1.50E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XG9W3B
LigandPNGBDBM50377927(Clerodol | Fagarasterol | Farganasterol | LUPEOL |...)copy SMILEScopy InChI
Affinity DataKi:  2.50E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XG9W3B
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50377927(Clerodol | Fagarasterol | Farganasterol | LUPEOL |...)copy SMILEScopy InChI
Affinity DataIC50: 3.68E+3nMAssay Description:Inhibition of recombinant human GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21 using para-nitrophenyl phosphate as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P271N3PubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50377927(Clerodol | Fagarasterol | Farganasterol | LUPEOL |...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of CES1A1 in human liver microsomes using D-luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition an...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2SMWPubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50377927(Clerodol | Fagarasterol | Farganasterol | LUPEOL |...)copy SMILEScopy InChI
Affinity DataIC50: 560nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X92G2JPubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Stephen F. Austin State University

Curated by ChEMBL
LigandPNGBDBM50377927(Clerodol | Fagarasterol | Farganasterol | LUPEOL |...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of human DNA topoisomerase 2-mediated relaxation of supercoiled DNA by gel electrophoresisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67HW5PubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Stephen F. Austin State University

Curated by ChEMBL
LigandPNGBDBM50377927(Clerodol | Fagarasterol | Farganasterol | LUPEOL |...)copy SMILEScopy InChI
Affinity DataIC50: 1.04E+4nMAssay Description:Inhibition of human 1 unit topoisomerase 2alpha catalytic activity assessed as relaxation of 198 ng supercoiled pBR322 DNA by agarose gel electrophor...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2X92C63PubMed
TargetCocaine esterase(Homo sapiens (Human))TBA
LigandPNGBDBM50377927(Clerodol | Fagarasterol | Farganasterol | LUPEOL |...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of CES2A1 in human liver microsomes using D-luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition an...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2SMWPubMed