BDBM50492308 CHEMBL2398138

SMILES CC(C)C[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)O

InChI Key InChIKey=MKRDZXOSTFYMAU-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50492308   

TargetIntegrase(Human immunodeficiency virus type 1)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50492308(CHEMBL2398138)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of wild type HIV-1 integrase 3' processing activity after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50492308(CHEMBL2398138)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of wild type HIV-1 integrase strand transfer activity after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50492308(CHEMBL2398138)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of HIV-1 His6-tagged integrase assessed as inhibition of LEDGF/p75-integrase interaction incubated 30 mins prior to flag-tagged LEDGF/p75 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed