BDBM50049707 (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-3-(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-[1,2,4]triazin-3-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-3-(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]triazin-3-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7R,)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7R,Z)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::7-[2-(2-Amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-3-(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]triazin-3-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (Ceftriaxone)::7-[2-(2-Amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-3-(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]triazin-3-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid(Ceftriaxone)::CHEMBL161::ceftriaxone

SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N2C1=O)C(O)=O)c1csc(N)n1

InChI Key InChIKey=VAAUVRVFOQPIGI-SPQHTLEESA-N

Data  11 KI  9 IC50

  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 15 hits for monomerid = 50049707   

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

Curated by ChEMBL
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataKi:  230nMAssay 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 11(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataKi:  2.38E+3nMAssay 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 8(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataKi:  4.39E+3nMAssay Description:TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Erzincan University

LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataKi:  1.58E+4nM ΔG°:  -6.55kcal/mole IC50:  2.10E+4nMpH: 7.4 T: 2°CAssay Description:CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutathione reductase, mitochondrial(Homo sapiens (Human))
Ondokuz Mayis University

LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataKi:  1.73E+4nM IC50:  2.13E+4nMpH: 8.0Assay Description:Enzymatic activity was measured by Beutler's method with a Shimadzu Spectrophotometer UV-(1208), at 25°C. The assay system contained 100 mM Tris-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Erzincan University

LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataKi:  2.85E+4nM ΔG°:  -6.20kcal/mole IC50:  2.71E+4nMpH: 7.4 T: 2°CAssay Description:CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutathione peroxidase 1(Homo sapiens (Human))
Ondokuz Mayis University

LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataKi:  3.41E+4nM IC50:  4.86E+4nMpH: 7.0Assay Description:Glutathione peroxidase was assayed in a l-ml system containing 0.1 M potassium phosphate buffer, pH 7.0, 0.2 mM NADPH, 1 i.u. glutathione reductase, ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMicrosomal glutathione S-transferase 1(Homo sapiens (Human))
Ondokuz Mayis University

LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataKi:  3.54E+4nM IC50:  6.18E+4nMpH: 6.5Assay Description:Enzymatic activity was determined spectrophotometrically by measuring the conjugation of CDNB with GSH. The 1 ml assay mixture contained 0.5 mM CDNB,...More 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
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
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 ArticlePubMed
TargetSolute carrier family 15 member 1(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
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 ArticlePubMedDrugBank

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

Curated by ChEMBL
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
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 ArticlePubMedDrugBank

TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataIC50:  3.56E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50049707((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed