BDBM590 (2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)methyl]-N-(2-{[(2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}ethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::CHEMBL105851::[2R-[2a(R*),4B]]-4,4 -[ 1,2-Ethanediylbis[ aminocarbonyl]]-bis[N-ethyl-5,5-dimethyl-a-[ (phenylacetyl)amino]-2-thiazolidineacetamide]::penicillin Et(NH)2 Sym dimmer::penicillin deriv. 3

SMILES [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC

InChI Key InChIKey=YPQFZEWXZJFGOG-HTCODBRUSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 590   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxo Group Research

LigandPNGBDBM590((2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)...)
Affinity DataIC50:  4.80nMpH: 6.0 T: 2°CAssay Description:IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM590((2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)...)
Affinity DataIC50:  4.80nMAssay Description:The compound was tested in vitro for its inhibitory activity against HIV-1 Proteinase activityMore data for this Ligand-Target Pair
In DepthDetails Article
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM590((2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)...)
Affinity DataIC50:  4.80nMAssay Description:Inhibitory activity towards HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed