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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50022787   

TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  20.9nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  331nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP2BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  532nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  182nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  110nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  789nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  23.9nMAssay Description:Inhibition of Bocillin FL binding to Streptococcus pneumoniae isolate 8865 PBP2bMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50: >2.39E+4nMAssay Description:Inhibition of Bocillin FL binding to PBP2b in Streptococcus pneumoniae isolate 8819 harboring E333G, I361L, E369D, S412P, N422Y, T426K, Q427L, Q438E,...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  448nMAssay Description:Inhibition of Bocillin FL binding to PBP2b in laboratory-derived Streptococcus pneumoniae isolate R6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  2.39E+3nMAssay Description:Inhibition of Bocillin FL binding to PBP2b Thr446Ala mutant in laboratory-derived Streptococcus pneumoniae isolate R6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  7.47E+3nMAssay Description:Inhibition of Streptococcus pneumoniae isolate 8882 Bocillin FL binding to PBP2b 443SSNA mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  7.47E+3nMAssay Description:Inhibition of Bocillin FL binding to PBP2b PBP2b 443SSNA mutant in Streptococcus pneumoniae isolate 8009 harboring E333G, N470K, E476G, T489S, E506D,...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  5.38E+3nMAssay Description:Inhibition of Bocillin FL binding to PBP2b Thr446Ala/Ala-619-Gly mutant in laboratory-derived Streptococcus pneumoniae isolate R6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  179nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  466nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50022787((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Affinity DataIC50:  287nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed