BDBM82898 (6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7R)-3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::Cephalothin::MLS001048966::SMR000386987::cid_6024

SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O

InChI Key InChIKey=XIURVHNZVLADCM-IUODEOHRSA-N

Data  10 KI  5 IC50  1 Kd  1 ITC

PDB links: 3 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 82898   

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

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi:  40nMAssay Description:TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 22 member 11(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi:  200nMAssay Description:TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 22 member 6(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi:  220nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 22 member 8(Rattus norvegicus)
Kyorin University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi:  4.80E+4nMAssay Description:TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 6(Rattus norvegicus)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi:  2.90E+5nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSolute carrier family 22 member 6(Rattus norvegicus)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi:  5.30E+5nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 15 member 2(Rattus norvegicus)
Biozentrum Of The Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi:  8.30E+6nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 15 member 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi:  8.30E+6nMAssay Description:Binding affinity to human PepT2 in SKTP cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 15 member 1(Homo sapiens (Human))
Biozentrum Of The Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi: >1.00E+7nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 15 member 1(Homo sapiens (Human))
Biozentrum Of The Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKi: >1.00E+7nMAssay Description:Binding affinity against membrane transport protein PEPT1 in human Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 22 member 8(Mus musculus)
Wilkes University

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataIC50:  3.33E+4nMAssay Description:Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetN-acetyltransferase domain-containing protein(Pseudomonas aeruginosa)
University Of Virginia

LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataKd:  1.69E+4nMpH: 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
TargetSolute carrier family 22 member 7(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataIC50:  1.41E+6nMAssay Description:TP_TRANSPORTER: inhibition of PGF2alpha in OAT2-S2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 22 member 7(Rattus norvegicus)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataIC50:  1.50E+6nMAssay Description:TP_TRANSPORTER: inhibition of PGF2alpha in OAT2-S2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataIC50:  2.79E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Affinity DataIC50:  7.28E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 82898   

SyringePNGBDBM82898((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
ITC DataΔG°: -6.53kcal/mole −TΔS°: 3.93kcal/mole ΔH°: -10.5kcal/mole logk: 6.12E+4
pH: 7.5 T: 25.00°C