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Assay Detail

CHEMBL4825989

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of P-gp (unknown origin) expressed in MCF7 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring reduction in paclitaxel EC50 at 50 nM incubated for 72 hrs in presence of paclitaxel by SRB assay (Rvb = 11.5 nM)
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type MCF7
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

ATP-dependent translocase ABCB1 (CHEMBL4302)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of Encequidar, First-in-Class Intestine Specific P-glycoprotein Inhibitor.
Smolinski MP, Urgaonkar S, Pitzonka L, Cutler M, Lee G, Suh KH, Lau JYN.
J Med Chem (2021) 64 : 3677 -3693
PubMed 33729781 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 18 8.08 8.27

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4861299 1 8.27
CHEMBL4860865 1 8.19
CHEMBL4878833 1 8.19
CHEMBL4866156 1 8.13
CHEMBL4855294 1 8.12
CHEMBL4870741 1 8.11
CHEMBL4594298 ENCEQUIDAR 3.0 1 8.10
CHEMBL4873470 1 8.10
CHEMBL4867678 1 8.09
CHEMBL4860692 1 8.07
CHEMBL4874866 1 8.05
CHEMBL4869278 1 8.04
CHEMBL4849203 1 8.04
CHEMBL4874542 1 8.04
CHEMBL4851476 1 7.99
CHEMBL4852329 1 7.99
CHEMBL4862931 1 7.99
CHEMBL4862848 1 7.92

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4861299 EC50 = 5.4 nM 8.27
CHEMBL4860865 EC50 = 6.5 nM 8.19
CHEMBL4878833 EC50 = 6.4 nM 8.19
CHEMBL4866156 EC50 = 7.4 nM 8.13
CHEMBL4855294 EC50 = 7.6 nM 8.12
CHEMBL4870741 EC50 = 7.7 nM 8.11
CHEMBL4594298 ENCEQUIDAR EC50 = 7.9 nM 8.10
CHEMBL4873470 EC50 = 7.9 nM 8.10
CHEMBL4867678 EC50 = 8.1 nM 8.09
CHEMBL4860692 EC50 = 8.5 nM 8.07
CHEMBL4874866 EC50 = 9.0 nM 8.05
CHEMBL4869278 EC50 = 9.1 nM 8.04
CHEMBL4849203 EC50 = 9.1 nM 8.04
CHEMBL4874542 EC50 = 9.1 nM 8.04
CHEMBL4851476 EC50 = 10.3 nM 7.99
CHEMBL4852329 EC50 = 10.3 nM 7.99
CHEMBL4862931 EC50 = 10.2 nM 7.99
CHEMBL4862848 EC50 = 12.1 nM 7.92