BDBM588 CHEMBL104525::[ 2R-[ 2a(R*),4B ] ]-4,4 -[ 1,2-Ethanediylbis[ aminocarbonyl ] ]-bis[ 5,5-dimethyl-a-[ (phenylacetyl)amino]-2-thiazolidineacetic acid, methyl ester]::methyl (2R)-2-[(2R,4S)-4-[(2-{[(2R,4S)-2-[(1R)-2-methoxy-2-oxo-1-(1-phenylacetamido)ethyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}ethyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-(1-phenylacetamido)acetate::penicillin Et(NH)2 Sym dimer::penicillin deriv. 1

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)OC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)OC

InChI Key InChIKey=CMJNUODSZAGDEG-WBASAELKSA-N

Data  2 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 2 hits for monomerid = 588   

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

Curated by ChEMBL
LigandPNGBDBM588(CHEMBL104525 | [ 2R-[ 2a(R*),4B ] ]-4,4 -[ 1,2-Eth...)
Affinity DataIC50:  60nMAssay Description:Inhibitory activity towards HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxo Group Research

LigandPNGBDBM588(CHEMBL104525 | [ 2R-[ 2a(R*),4B ] ]-4,4 -[ 1,2-Eth...)
Affinity DataIC50:  60nMpH: 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