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Assay Detail

CHEMBL4189992

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Binding
Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assay
ChEMBL ↗
107
Total Activities
107
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

Aldehyde dehydrogenase 1A1 (CHEMBL3577) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity.
Yang SM, Martinez NJ, Yasgar A, Danchik C, Johansson C, Wang Y, Baljinnyam B, Wang AQ, Xu X, Shah P, Cheff D, Wang XS, Roth J, Lal-Nag M, Dunford JE, Oppermann U, Vasiliou V, Simeonov A, Jadhav A, Maloney DJ.
J Med Chem (2018) 61 : 4883 -4903
PubMed 29767973 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 107 6.17 7.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4207953 — — 1 7.66
CHEMBL4205051 — — 1 7.66
CHEMBL4214724 — — 1 7.62
CHEMBL4208724 — — 1 7.55
CHEMBL4206892 — — 1 7.52
CHEMBL4212671 — — 1 7.51
CHEMBL4213304 — — 1 7.50
CHEMBL4202680 — — 1 7.50
CHEMBL4215704 — — 1 7.50
CHEMBL4206606 — — 1 7.48
CHEMBL4214162 — — 1 7.41
CHEMBL4207514 — — 1 7.40
CHEMBL4213024 — — 1 7.40
CHEMBL4209722 — — 1 7.38
CHEMBL4216465 — — 1 7.35
CHEMBL4215957 — — 1 7.33
CHEMBL4211904 — — 1 7.33
CHEMBL4214533 — — 1 7.32
CHEMBL4207617 — — 1 7.28
CHEMBL4204486 — — 1 7.28
CHEMBL4218688 — — 1 7.27
CHEMBL4212891 — — 1 7.26
CHEMBL4207423 — — 1 7.21
CHEMBL4213848 — — 1 7.20
CHEMBL4203073 — — 1 7.19
CHEMBL4210811 — — 1 7.15
CHEMBL4207222 — — 1 7.13
CHEMBL4206272 — — 1 7.11
CHEMBL4205368 — — 1 7.06
CHEMBL4210671 — — 1 7.03

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4207953 — IC50 = 22.0 nM 7.66
CHEMBL4205051 — IC50 = 22.0 nM 7.66
CHEMBL4214724 — IC50 = 24.0 nM 7.62
CHEMBL4208724 — IC50 = 28.0 nM 7.55
CHEMBL4206892 — IC50 = 30.0 nM 7.52
CHEMBL4212671 — IC50 = 31.0 nM 7.51
CHEMBL4213304 — IC50 = 32.0 nM 7.50
CHEMBL4202680 — IC50 = 32.0 nM 7.50
CHEMBL4215704 — IC50 = 32.0 nM 7.50
CHEMBL4206606 — IC50 = 33.0 nM 7.48
CHEMBL4214162 — IC50 = 39.0 nM 7.41
CHEMBL4207514 — IC50 = 40.0 nM 7.40
CHEMBL4213024 — IC50 = 40.0 nM 7.40
CHEMBL4209722 — IC50 = 42.0 nM 7.38
CHEMBL4216465 — IC50 = 45.0 nM 7.35
CHEMBL4215957 — IC50 = 47.0 nM 7.33
CHEMBL4211904 — IC50 = 47.0 nM 7.33
CHEMBL4214533 — IC50 = 48.0 nM 7.32
CHEMBL4204486 — IC50 = 53.0 nM 7.28
CHEMBL4207617 — IC50 = 53.0 nM 7.28
CHEMBL4218688 — IC50 = 54.0 nM 7.27
CHEMBL4212891 — IC50 = 55.0 nM 7.26
CHEMBL4207423 — IC50 = 62.0 nM 7.21
CHEMBL4213848 — IC50 = 63.0 nM 7.20
CHEMBL4203073 — IC50 = 65.0 nM 7.19
CHEMBL4210811 — IC50 = 71.0 nM 7.15
CHEMBL4207222 — IC50 = 74.0 nM 7.13
CHEMBL4206272 — IC50 = 77.0 nM 7.11
CHEMBL4205368 — IC50 = 87.0 nM 7.06
CHEMBL4210671 — IC50 = 94.0 nM 7.03
CHEMBL4217115 — IC50 = 96.0 nM 7.02
CHEMBL4205805 — IC50 = 106.0 nM 6.97
CHEMBL4213604 — IC50 = 111.0 nM 6.96
CHEMBL4202477 — IC50 = 112.0 nM 6.95
CHEMBL4209360 — IC50 = 153.0 nM 6.82
CHEMBL4216229 — IC50 = 206.0 nM 6.69
CHEMBL4204849 — IC50 = 319.0 nM 6.50
CHEMBL4217083 — IC50 = 346.0 nM 6.46
CHEMBL4209231 — IC50 = 472.0 nM 6.33
CHEMBL4213536 — IC50 = 477.0 nM 6.32
CHEMBL4209616 — IC50 = 486.0 nM 6.31
CHEMBL4210133 — IC50 = 507.0 nM 6.29
CHEMBL4204489 — IC50 = 572.0 nM 6.24
CHEMBL4202537 — IC50 = 873.0 nM 6.06
CHEMBL4212457 — IC50 = 1010.0 nM 6.00
CHEMBL4214428 — IC50 = 1050.0 nM 5.98
CHEMBL4215797 — IC50 = 1110.0 nM 5.96
CHEMBL4209516 — IC50 = 1210.0 nM 5.92
CHEMBL4213696 — IC50 = 1410.0 nM 5.85
CHEMBL4217795 — IC50 = 1450.0 nM 5.84