BDBM50022787 (+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G)::(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion (Penicillin G)::3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G)::BICILLIN::PENICILLIN G::PENICILLIN G PROCAINE::PENICILLIN-2::PERMAPEN::PFIZERPEN::PFIZERPEN-AS::benzylpenicillin

SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O

InChI Key InChIKey=JGSARLDLIJGVTE-MBNYWOFBSA-N

Data  10 KI  40 IC50

PDB links: 7 PDB IDs match this monomer.

  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 = 50022787   

TargetSolute carrier family 15 member 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataKi:  1.10E+7nMAssay Description:Binding affinity to human PepT2 in SKTP cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 15 member 2(Rattus norvegicus)
Biozentrum Of The Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataKi:  1.11E+7nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed