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Assay Detail

CHEMBL2033392

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

Binding
Inhibition of BRAF V600E mutant-mediated MEK phosphorylation in human A375 cells after 2 hrs
36
Total Activities
36
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type A-375
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Serine/threonine-protein kinase B-raf (CHEMBL5145)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification of 1-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea hydrochloride (CEP-32496), a highly potent and orally efficacious inhibitor of V-RAF murine sarcoma viral oncogene homologue B1 (BRAF) V600E.
Rowbottom MW, Faraoni R, Chao Q, Campbell BT, Lai AG, Setti E, Ezawa M, Sprankle KG, Abraham S, Tran L, Struss B, Gibney M, Armstrong RC, Gunawardane RN, Nepomuceno RR, Valenta I, Hua H, Gardner MF, Cramer MD, Gitnick D, Insko DE, Apuy JL, Jones-Bolin S, Ghose AK, Herbertz T, Ator MA, Dorsey BD, Ruggeri B, Williams M, Bhagwat S, James J, Holladay MW.
J Med Chem (2012) 55 : 1082 -1105
PubMed 22168626 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 36 6.58 7.68

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2029997 1 7.68
CHEMBL2029999 1 7.21
CHEMBL2029988 CEP-32496 2.0 1 7.09
CHEMBL2029993 1 7.08
CHEMBL2029990 1 7.03
CHEMBL2029967 1 7.00
CHEMBL2029987 1 6.96
CHEMBL1824069 1 6.92
CHEMBL2029972 1 6.87
CHEMBL2029991 1 6.85
CHEMBL2029981 1 6.81
CHEMBL2029983 1 6.76
CHEMBL2029989 1 6.74
CHEMBL2029986 1 6.56
CHEMBL1824076 1 6.54
CHEMBL2029984 1 6.51
CHEMBL2029978 1 6.49
CHEMBL2029985 1 6.48
CHEMBL1824073 1 6.48
CHEMBL2029982 1 6.47
CHEMBL2029969 1 6.47
CHEMBL2029974 1 6.47
CHEMBL2029971 1 6.45
CHEMBL2029992 1 6.33
CHEMBL2029998 1 6.32
CHEMBL2029994 1 6.30
CHEMBL2029977 1 6.19
CHEMBL2029980 1 6.19
CHEMBL2029995 1 6.17
CHEMBL2029973 1 6.02

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2029997 IC50 = 21.0 nM 7.68
CHEMBL2029999 IC50 = 62.0 nM 7.21
CHEMBL2029988 CEP-32496 IC50 = 82.0 nM 7.09
CHEMBL2029993 IC50 = 84.0 nM 7.08
CHEMBL2029990 IC50 = 93.0 nM 7.03
CHEMBL2029967 IC50 = 101.0 nM 7.00
CHEMBL2029987 IC50 = 109.0 nM 6.96
CHEMBL1824069 IC50 = 121.0 nM 6.92
CHEMBL2029972 IC50 = 134.0 nM 6.87
CHEMBL2029991 IC50 = 142.0 nM 6.85
CHEMBL2029981 IC50 = 155.0 nM 6.81
CHEMBL2029983 IC50 = 174.0 nM 6.76
CHEMBL2029989 IC50 = 183.0 nM 6.74
CHEMBL2029986 IC50 = 276.0 nM 6.56
CHEMBL1824076 IC50 = 290.0 nM 6.54
CHEMBL2029984 IC50 = 308.0 nM 6.51
CHEMBL2029978 IC50 = 324.0 nM 6.49
CHEMBL1824073 IC50 = 333.0 nM 6.48
CHEMBL2029985 IC50 = 332.0 nM 6.48
CHEMBL2029982 IC50 = 339.0 nM 6.47
CHEMBL2029969 IC50 = 336.0 nM 6.47
CHEMBL2029974 IC50 = 340.0 nM 6.47
CHEMBL2029971 IC50 = 355.0 nM 6.45
CHEMBL2029992 IC50 = 469.0 nM 6.33
CHEMBL2029998 IC50 = 480.0 nM 6.32
CHEMBL2029994 IC50 = 505.0 nM 6.30
CHEMBL2029980 IC50 = 645.0 nM 6.19
CHEMBL2029977 IC50 = 649.0 nM 6.19
CHEMBL2029995 IC50 = 681.0 nM 6.17
CHEMBL2029973 IC50 = 956.0 nM 6.02
CHEMBL2029975 IC50 = 1134.0 nM 5.95
CHEMBL2029968 IC50 = 1131.0 nM 5.95
CHEMBL2029979 IC50 = 2229.0 nM 5.65
CHEMBL2029976 IC50 > 15000.0 nM -
CHEMBL2029970 IC50 > 15000.0 nM -
CHEMBL2029996 IC50 > 1667.0 nM -