BDBM50246658 3-(2-chlorophenyl)-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::CHEMBL301567

SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccccc3Cl)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

InChI Key InChIKey=ZTPPUVKHQVZMRZ-UHFFFAOYSA-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 = 50246658   

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

Curated by ChEMBL
LigandPNGBDBM50246658(3-(2-chlorophenyl)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR...)
Affinity DataIC50: 560nMAssay 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
LigandPNGBDBM50246658(3-(2-chlorophenyl)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR...)
Affinity DataIC50: 550nMAssay 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
LigandPNGBDBM50246658(3-(2-chlorophenyl)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR...)
Affinity DataIC50: 650nMAssay 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