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Assay Detail

CHEMBL3110730

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

Binding
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2'',3'']indolizino[8'',7'':5',6']pyrano[3',2':3,4]pyrido[1,2-a]indol-5-ium-2-sulfonate from human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) expressed in baculovirus infected insect Sf9 cells preincubated for 10 mins followed by fluorescent ligand addition measured after 15 mins by fluorescence polarization assay
35
Total Activities
35
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Sf9
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Receptor-interacting serine/threonine-protein kinase 1 (CHEMBL5464)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.
Harris PA, Bandyopadhyay D, Berger SB, Campobasso N, Capriotti CA, Cox JA, Dare L, Finger JN, Hoffman SJ, Kahler KM, Lehr R, Lich JD, Nagilla R, Nolte RT, Ouellette MT, Pao CS, Schaeffer MC, Smallwood A, Sun HH, Swift BA, Totoritis RD, Ward P, Marquis RW, Bertin J, Gough PJ.
ACS Med Chem Lett (2013) 4 : 1238 -1243
PubMed 24900635 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 35 7.26 8.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3109212 1 8.89
CHEMBL3109194 1 8.49
CHEMBL3109209 1 8.10
CHEMBL3109196 1 7.89
CHEMBL3109206 1 7.89
CHEMBL3109202 1 7.80
CHEMBL3109203 1 7.80
CHEMBL3109210 1 7.80
CHEMBL3109214 1 7.80
CHEMBL3109195 1 7.70
CHEMBL3108785 1 7.70
CHEMBL273564 GW795493X 1 7.70
CHEMBL3109219 1 7.60
CHEMBL3109205 1 7.50
CHEMBL3109213 1 7.50
CHEMBL3109221 1 7.50
CHEMBL3109204 1 7.50
CHEMBL3109200 1 7.40
CHEMBL247228 GW770249X 1 7.20
CHEMBL3109211 1 7.20
CHEMBL436806 1 7.00
CHEMBL3109216 1 6.89
CHEMBL3109220 1 6.80
CHEMBL3109215 1 6.80
CHEMBL3109197 1 6.80
CHEMBL3109218 1 6.80
CHEMBL3109207 1 6.70
CHEMBL3109217 1 6.60
CHEMBL3109198 1 6.50
CHEMBL396107 GW795486X 1 6.50

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3109212 IC50 = 1.3 nM 8.89
CHEMBL3109194 IC50 = 3.2 nM 8.49
CHEMBL3109209 IC50 = 7.9 nM 8.10
CHEMBL3109196 IC50 = 13.0 nM 7.89
CHEMBL3109206 IC50 = 13.0 nM 7.89
CHEMBL3109202 IC50 = 16.0 nM 7.80
CHEMBL3109203 IC50 = 16.0 nM 7.80
CHEMBL3109210 IC50 = 16.0 nM 7.80
CHEMBL3109214 IC50 = 16.0 nM 7.80
CHEMBL3109195 IC50 = 20.0 nM 7.70
CHEMBL3108785 IC50 = 20.0 nM 7.70
CHEMBL273564 GW795493X IC50 = 20.0 nM 7.70
CHEMBL3109219 IC50 = 25.0 nM 7.60
CHEMBL3109204 IC50 = 32.0 nM 7.50
CHEMBL3109221 IC50 = 32.0 nM 7.50
CHEMBL3109205 IC50 = 32.0 nM 7.50
CHEMBL3109213 IC50 = 32.0 nM 7.50
CHEMBL3109200 IC50 = 40.0 nM 7.40
CHEMBL3109211 IC50 = 63.0 nM 7.20
CHEMBL247228 GW770249X IC50 = 63.0 nM 7.20
CHEMBL436806 IC50 = 100.0 nM 7.00
CHEMBL3109216 IC50 = 130.0 nM 6.89
CHEMBL3109220 IC50 = 160.0 nM 6.80
CHEMBL3109215 IC50 = 160.0 nM 6.80
CHEMBL3109197 IC50 = 160.0 nM 6.80
CHEMBL3109218 IC50 = 160.0 nM 6.80
CHEMBL3109207 IC50 = 200.0 nM 6.70
CHEMBL3109217 IC50 = 250.0 nM 6.60
CHEMBL3109198 IC50 = 320.0 nM 6.50
CHEMBL396107 GW795486X IC50 = 320.0 nM 6.50
CHEMBL550273 IC50 = 1300.0 nM 5.89
CHEMBL3109208 IC50 = 2000.0 nM 5.70
CHEMBL3109201 IC50 = 3200.0 nM 5.50
CHEMBL437369 IC50 > 10000.0 nM -
CHEMBL3109199 IC50 > 10000.0 nM -