BDBM50246671 3-(3,5-dimethoxyphenyl)-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)propanoic acid::CHEMBL448797

SMILES COc1cc(CC(NC(=O)CCCC[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc(OC)c1

InChI Key InChIKey=PSBFYUNKENPLOT-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50246671   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50246671(3-(3,5-dimethoxyphenyl)-2-(5-((4aR,6aS,6bR,8aR,10S...)
Affinity DataIC50: 630nMAssay Description:Inhibition of PTP1B by pNPP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50246671(3-(3,5-dimethoxyphenyl)-2-(5-((4aR,6aS,6bR,8aR,10S...)
Affinity DataIC50: 850nMAssay Description:Inhibition of TCPTP by pNPP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50246671(3-(3,5-dimethoxyphenyl)-2-(5-((4aR,6aS,6bR,8aR,10S...)
Affinity DataIC50: 1.26E+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 Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed