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Assay Detail

CHEMBL3858905

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

Binding
Inhibition of full length recombinant human His-tagged BTK expressed in baculovirus using fluoresceinated peptide incubated for 60 mins by fluorescent assay
22
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Tyrosine-protein kinase BTK (CHEMBL5251)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
Watterson SH, De Lucca GV, Shi Q, Langevine CM, Liu Q, Batt DG, Beaudoin Bertrand M, Gong H, Dai J, Yip S, Li P, Sun D, Wu DR, Wang C, Zhang Y, Traeger SC, Pattoli MA, Skala S, Cheng L, Obermeier MT, Vickery R, Discenza LN, D'Arienzo CJ, Zhang Y, Heimrich E, Gillooly KM, Taylor TL, Pulicicchio C, McIntyre KW, Galella MA, Tebben AJ, Muckelbauer JK, Chang C, Rampulla R, Mathur A, Salter-Cid L, Barrish JC, Carter PH, Fura A, Burke JR, Tino JA.
J Med Chem (2016) 59 : 9173 -9200
PubMed 27583770 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 8.54 9.57

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3899411 1 9.57
CHEMBL3896019 1 9.35
CHEMBL3900554 BMS-986142 2.0 2 9.30
CHEMBL3931086 1 9.19
CHEMBL3936249 3 9.00
CHEMBL3936156 2 8.92
CHEMBL3897349 1 8.82
CHEMBL3952795 1 8.66
CHEMBL3908310 3 8.64
CHEMBL3918580 1 8.59
CHEMBL3944049 1 8.59
CHEMBL3941224 1 8.59
CHEMBL3976719 1 8.57
CHEMBL3977725 1 8.29
CHEMBL3891391 1 7.96
CHEMBL3939772 1 7.36

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3899411 IC50 = 0.27 nM 9.57
CHEMBL3896019 IC50 = 0.45 nM 9.35
CHEMBL3900554 BMS-986142 IC50 = 0.5 nM 9.30
CHEMBL3931086 IC50 = 0.65 nM 9.19
CHEMBL3936249 IC50 = 1.0 nM 9.00
CHEMBL3936156 IC50 = 1.2 nM 8.92
CHEMBL3897349 IC50 = 1.5 nM 8.82
CHEMBL3936156 IC50 = 1.6 nM 8.80
CHEMBL3952795 IC50 = 2.2 nM 8.66
CHEMBL3908310 IC50 = 2.3 nM 8.64
CHEMBL3918580 IC50 = 2.6 nM 8.59
CHEMBL3944049 IC50 = 2.6 nM 8.59
CHEMBL3941224 IC50 = 2.6 nM 8.59
CHEMBL3976719 IC50 = 2.7 nM 8.57
CHEMBL3908310 IC50 = 2.8 nM 8.55
CHEMBL3936249 IC50 = 4.0 nM 8.40
CHEMBL3908310 IC50 = 4.6 nM 8.34
CHEMBL3977725 IC50 = 5.1 nM 8.29
CHEMBL3891391 IC50 = 11.0 nM 7.96
CHEMBL3900554 BMS-986142 IC50 = 25.0 nM 7.60
CHEMBL3939772 IC50 = 44.0 nM 7.36
CHEMBL3936249 IC50 = 130.0 nM 6.89