BDBM54263 (4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid::(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanylidene-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid::(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid::MLS000563430::MORONIC ACID::SMR000232278::US11660306, Example Moronic acid::cid_489941

SMILES CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O

InChI Key InChIKey=UMYJVVZWBKIXQQ-QALSDZMNSA-N

Data  3 KI  7 IC50  1 EC50

  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 11 hits for monomerid = 54263   

TargetTyrosine-protein phosphatase non-receptor type 1 [1-405](Homo sapiens (Human))
Cold Spring Harbor Laboratory

US Patent
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataKi:  5.00E+3nMAssay Description:Glucose in tail blood was measured using a glucometer (One-Touch Basic; Lifescan, CA). For glucose tolerance tests (GTTs), mice were fasted for 10 ho...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein phosphatase non-receptor type 1 [1-321](Homo sapiens (Human))
Cold Spring Harbor Laboratory

US Patent
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataKi:  7.00E+3nMAssay Description:Glucose in tail blood was measured using a glucometer (One-Touch Basic; Lifescan, CA). For glucose tolerance tests (GTTs), mice were fasted for 10 ho...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Universidad Aut£Noma Del Estado De Morelos

Curated by ChEMBL
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataKi:  8.00E+3nMAssay Description:Mixed type inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Universidad Aut£Noma Del Estado De Morelos

Curated by ChEMBL
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataIC50:  1.32E+4nMAssay Description:Inhibition of recombinant human PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Universidad Aut£Noma Del Estado De Morelos

Curated by ChEMBL
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataIC50:  1.32E+4nMAssay Description:Inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataEC50:  2.27E+3nMAssay 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
TargetReceptor-type tyrosine-protein phosphatase F(Homo sapiens (Human))
Universidad Aut£Noma Del Estado De Morelos

Curated by ChEMBL
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataIC50:  4.56E+4nMAssay Description:Inhibition of human recombinant LAR expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLow molecular weight phosphotyrosine protein phosphatase(Homo sapiens (Human))
Universidad Aut£Noma Del Estado De Morelos

Curated by ChEMBL
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataIC50:  2.06E+4nMAssay Description:Inhibition of human recombinant LMW-PTP1 expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLow molecular weight phosphotyrosine protein phosphatase(Homo sapiens (Human))
Universidad Aut£Noma Del Estado De Morelos

Curated by ChEMBL
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataIC50:  2.74E+4nMAssay Description:Inhibition of human recombinant LMW-PTP2 expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataIC50:  8.08E+3nMAssay 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
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54263((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Affinity DataIC50:  1.09E+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