null

SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1

InChI Key InChIKey=GPRBEKHLDVQUJE-VINNURBNSA-N

  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 13 hits for monomerid = 50335523   

TargetSolute carrier family 22 member 8(Homo sapiens (Human))
Kyorin University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKi:  290nMAssay Description:TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N87C2CPubMed
TargetBeta-lactamase(Acinetobacter baumannii)
INSERM

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKi:  500nMAssay Description:Activity of Acinetobacter baumannii ADC-33 beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348KM2PubMed
TargetBeta-lactamase(Acinetobacter baumannii)
INSERM

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKi:  2.50E+3nMAssay Description:Activity of Acinetobacter baumannii ADC-11 beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348KM2PubMed
TargetSolute carrier family 22 member 6(Homo sapiens (Human))
Kyorin University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKi:  3.13E+3nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N87C2CPubMed
TargetSolute carrier family 22 member 11(Homo sapiens (Human))
Kyorin University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKi:  6.15E+3nMAssay Description:TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N87C2CPubMed
TargetSolute carrier family 15 member 2(Rattus norvegicus)
Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKi:  2.00E+7nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4S7HPubMed
TargetSolute carrier family 15 member 2(Homo sapiens (Human))
Universit£ degli Studi di Milano

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKi:  2.00E+7nMAssay Description:Binding affinity to human PepT2 in SKTP cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MP549PPubMed
TargetSolute carrier family 15 member 1(Homo sapiens (Human))
Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKi: >3.00E+7nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4S7HPubMed
TargetSolute carrier family 15 member 1(Homo sapiens (Human))
Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKi: >3.00E+7nMAssay Description:Binding affinity against membrane transport protein PEPT1 in human Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Q24116PubMed
TargetAlbumin(Homo sapiens (Human))
CNRS-CPBS/UMR 5236

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKd:  1.20E+4nMAssay Description:Binding affinity to first site on human serum albumin by SPRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SN09ZKPubMed
TargetSolute carrier family 22 member 7(Rattus norvegicus)
Kyorin University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+6nMAssay Description:TP_TRANSPORTER: inhibition of PGF2alpha in OAT2-S2 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CC11SXPubMed
TargetSolute carrier family 22 member 7(Homo sapiens (Human))
Kyorin University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataIC50: 4.68E+6nMAssay Description:TP_TRANSPORTER: inhibition of PGF2alpha in OAT2-S2 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CC11SXPubMed
TargetN-acetyltransferase domain-containing protein(Pseudomonas aeruginosa)
University of Virginia

LigandPNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)copy SMILEScopy InChI
Affinity DataKd:  3.50E+3nMpH: 7.5 T: 2°CAssay Description:Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N514WPubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50335523   

SyringePNGBDBM50335523((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
ITC DataΔG°: -7.44kcal/mole −TΔS°: 1.27kcal/mole ΔH°: -8.71kcal/mole logk: 2.89E+5
pH: 7.5 T: 25.00°C 
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N514WPubMed