BDBM50246665 2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)pentanamido)-3-(2-methoxyphenyl)propanoic acid::CHEMBL446573

SMILES COc1ccccc1CC(NC(=O)CCCC[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O

InChI Key InChIKey=KNIUSSTWACIPRX-OLHYUIGVSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50246665   

TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50246665(2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydr...)
Affinity DataIC50:  530nMAssay Description:Inhibition of PTP1B (unknown origin) by pNPP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50246665(2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydr...)
Affinity DataIC50:  4.56E+3nMAssay Description:Inhibition of HIV1 His6-tagged integrase-human GST tagged LEDGF/p75 (373-442 residues) interaction after 30 mins by AlphaScreen assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50246665(2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydr...)
Affinity DataIC50:  450nMAssay Description:Inhibition of TCPTP (unknown origin) by pNPP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed