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. 2020 Apr 3;60(4):1955–1968. doi: 10.1021/acs.jcim.9b01053

Table 2. Safety Datasets Used to Benchmark AMPL.

assay target primary liability experimental system detection compounds
BSEP pIC50 Bile Salt Export Pump hepatic membrane vesicles   187
ADRA1B pIC50 adrenergic a1B pIC50 CNS intracell Ca   3537
ADRA2C pIC50 a2C adrenoceptor CNS CHO K1   2873
ADRB2 pEC50 2 adrenoceptor CNS FRET   2815
CHRM1 pEC50 cholinergic receptor muscarinic 1 CNS CHO intracellular Ca fluorescence 5315
CHRM1 pIC50 cholinergic receptor muscarinic 1 CNS CHO intracellular Ca fluorescence 4547
CHRM2 pEC50 cholinergic receptor muscarinic 2 CNS CHO intracellular Ca fluorescence 4742
DRD2 pEC50 dopamine D2 CNS HEK293F low Na GTPgS SPA 14450
GRIN1 pIC50 GRIN1 GRIN2B NR2B NR1A 2B subunit pIC50 CNS     2663
HRH1 pIC50 histamine receptor H1 CNS   luminescence 7971
HTR1B pIC50 5-hydroxytryptamine receptor 1B CNS 10 μL LEADseeker GTPgS   6300
HTR2A pEC50 5-hydroxytryptamine receptor 2A CNS HEK luminescence 4259
HTR2A pIC50 5-hydroxytryptamine receptor 2A CNS HEK luminescence 4250
HTR2C pEC50 5-hydroxytryptamine receptor 2C CNS CHO luminescence 2938
HTR2C pIC50 5-hydroxytryptamine receptor 2C CNS CHO luminescence 2939
HTR3A pIC50 5-hydroxytryptamine receptor 3A CNS FLIPR   6645
KCNA5 (Kv1.5) pIC50 KCNA5 (Kv1.5) cardiovascular CHO electrophys 4178
KCNE1 KCNQ1 (Kv7.1) pIC50 KCNE1 KCNQ1 (Kv7.1) Cardiovascular MinK human blocker CHO electrophys 2373
MAOA pIC50 monoamine oxidase A CNS   FLINT 344
PDE3A pIC50 phosphodiesterase 3A Cardiac   SPA (cAMP inhibition) 614
PDE4B pIC50 phosphodiesterase 4B CNS   SPA 564
Phospholipidosid pEC50 phospholipidosis induction cellular tox HEPG2 FLINT 278
PI3K pIC50 phosphoinositide 3-kinase (pI3K) cellular tox   TR FRET 9173
COX 2 pIC50 cyclooxygenase 2 cardiovascular   FLINT SAR 3865
SCN5A (NaV1.5) pIC50 SCN5A (NaV1.5) cardiovascular     3577
SCL6A2 pIC50 noradrenaline Transporter NET CNS   BacMam bind SPA 2805
SLC6A4 pIC50 seratonin Transporter (SERT) CNS   BacMam binding SPA 3520
OATP1B1 pIC50 organic anion transport polypeptide (SLCO1B1) hepatic HEK image 1789