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Assay Detail

CHEMBL1817008

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ADMET
Binding affinity to human PepT2 in SKTP cells
ChEMBL ↗
148
Total Activities
74
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Cell Type SKTP
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Solute carrier family 15 member 2 (CHEMBL1743125) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping.
Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G.
Bioorg Med Chem (2011) 19 : 4544 -4551
PubMed 21741846 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 148 4.67 6.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL434535 — — 2 6.52
CHEMBL286852 — — 2 6.10
CHEMBL364928 — — 2 5.77
CHEMBL190272 — — 2 5.70
CHEMBL90069 — — 2 5.60
CHEMBL1222165 — — 2 5.52
CHEMBL1644 CEFADROXIL 4.0 2 5.52
CHEMBL91241 — — 2 5.46
CHEMBL8486 MDL-28170 — 2 5.42
CHEMBL188866 — — 2 5.40
CHEMBL316103 — — 2 5.36
CHEMBL190179 — — 2 5.22
CHEMBL1814495 — — 2 5.22
CHEMBL17697 — — 2 5.22
CHEMBL1814492 — — 2 5.22
CHEMBL192867 — — 2 5.16
CHEMBL94250 — — 2 5.16
CHEMBL91090 — — 2 5.10
CHEMBL189887 — — 2 5.05
CHEMBL447844 — — 2 5.05
CHEMBL189210 — — 2 5.00
CHEMBL1814489 — — 2 4.92
CHEMBL414828 — — 2 4.92
CHEMBL417979 — — 2 4.85
CHEMBL188747 — — 2 4.85
CHEMBL429950 — — 2 4.80
CHEMBL1814494 — — 2 4.80
CHEMBL189368 — — 2 4.75
CHEMBL297722 — — 2 4.75
CHEMBL190414 — — 2 4.64

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL434535 — Ki = 300.0 nM 6.52
CHEMBL434535 — Ki = 302.0 nM 6.52
CHEMBL286852 — Ki = 800.0 nM 6.10
CHEMBL286852 — Ki = 794.33 nM 6.10
CHEMBL364928 — Ki = 1698.24 nM 5.77
CHEMBL364928 — Ki = 1700.0 nM 5.77
CHEMBL190272 — Ki = 1995.26 nM 5.70
CHEMBL190272 — Ki = 2000.0 nM 5.70
CHEMBL90069 — Ki = 2511.89 nM 5.60
CHEMBL90069 — Ki = 2500.0 nM 5.60
CHEMBL1222165 — Ki = 3019.95 nM 5.52
CHEMBL1644 CEFADROXIL Ki = 3019.95 nM 5.52
CHEMBL1644 CEFADROXIL Ki = 3000.0 nM 5.52
CHEMBL1222165 — Ki = 3000.0 nM 5.52
CHEMBL91241 — Ki = 3467.37 nM 5.46
CHEMBL91241 — Ki = 3500.0 nM 5.46
CHEMBL8486 MDL-28170 Ki = 3801.89 nM 5.42
CHEMBL8486 MDL-28170 Ki = 3800.0 nM 5.42
CHEMBL188866 — Ki = 3981.07 nM 5.40
CHEMBL188866 — Ki = 4000.0 nM 5.40
CHEMBL316103 — Ki = 4365.16 nM 5.36
CHEMBL316103 — Ki = 4400.0 nM 5.36
CHEMBL190179 — Ki = 6000.0 nM 5.22
CHEMBL1814492 — Ki = 6000.0 nM 5.22
CHEMBL1814495 — Ki = 6000.0 nM 5.22
CHEMBL190179 — Ki = 6025.6 nM 5.22
CHEMBL1814492 — Ki = 6025.6 nM 5.22
CHEMBL1814495 — Ki = 6025.6 nM 5.22
CHEMBL17697 — Ki = 6025.6 nM 5.22
CHEMBL17697 — Ki = 6000.0 nM 5.22
CHEMBL94250 — Ki = 7000.0 nM 5.16
CHEMBL192867 — Ki = 7000.0 nM 5.16
CHEMBL94250 — Ki = 7079.46 nM 5.15
CHEMBL192867 — Ki = 7079.46 nM 5.15
CHEMBL91090 — Ki = 7943.28 nM 5.10
CHEMBL91090 — Ki = 8000.0 nM 5.10
CHEMBL447844 — Ki = 8912.51 nM 5.05
CHEMBL447844 — Ki = 9000.0 nM 5.05
CHEMBL189887 — Ki = 8912.51 nM 5.05
CHEMBL189887 — Ki = 9000.0 nM 5.05
CHEMBL189210 — Ki = 10000.0 nM 5.00
CHEMBL189210 — Ki = 10000.0 nM 5.00
CHEMBL1814489 — Ki = 12000.0 nM 4.92
CHEMBL414828 — Ki = 12022.64 nM 4.92
CHEMBL1814489 — Ki = 12022.64 nM 4.92
CHEMBL414828 — Ki = 12000.0 nM 4.92
CHEMBL188747 — Ki = 14125.38 nM 4.85
CHEMBL417979 — Ki = 14000.0 nM 4.85
CHEMBL188747 — Ki = 14000.0 nM 4.85
CHEMBL417979 — Ki = 14125.38 nM 4.85