Ki Summary

Reaction Details

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Target

Neuronal acetylcholine receptor subunit alpha-3

Ligand

BDBM50406134

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2266242

IC50

2200±n/a nM

Citation

Roecker, AJ; Schirripa, KM; Loughran, HM; Tong, L; Liang, T; Fillgrove, KL; Kuo, Y; Bleasby, K; Collier, H; Altman, MD; Ford, MC; Drolet, RE; Cosden, M; Jinn, S; Hatcher, NG; Yao, L; Kandebo, M; Vardigan, JD; Flick, RB; Liu, X; Minnick, C; Price, LA; Watt, ML; Lemaire, W; Burlein, C; Adam, GC; Austin, LA; Marcus, JN; Smith, SM; Fraley, ME Pyrazole Ureas as Low Dose, CNS Penetrant Glucosylceramide Synthase Inhibitors for the Treatment of Parkinson's Disease. ACS Med Chem Lett14:146-155 (2023) [PubMed]

More Info.:

Get all data from this article, Assay Method

Neuronal acetylcholine receptor subunit alpha-3

Name:

Neuronal acetylcholine receptor subunit alpha-3

Synonyms:

ACHA3_HUMAN | CHRNA3 | Cholinergic, Nicotinic Alpha3Beta2 | Cholinergic, Nicotinic Alpha3Beta4 | Cholinergic, Nicotinic Alpha3Beta4x | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | NACHRA3 | Neuronal acetylcholine receptor protein alpha-3 subunit | Neuronal acetylcholine receptor subunit alpha-3 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | nicotinic central

Type:

Enzyme Catalytic Domain

Mol. Mass.:

57479.03

Organism:

Homo sapiens (Human)

Description:

Cholinergic, Nicotinic Alpha3Beta2 0 HUMAN::P32297

Residue:

505

Sequence:

MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEIIRPVANVSDPV
IIHFEVSMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWNPSDYGGAEFMRVPAQKIWKPD
IVLYNNAVGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSW
SYDKAKIDLVLIGSSMNLKDYWESGEWAIIKAPGYKHDIKYNCCEEIYPDITYSLYIRRL
PLFYTINLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLV
IPLIGEYLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPSWVKTVFLNLLPRVMFMTRPT
SNEGNAQKPRPLYGAELSNLNCFSRAESKGCKEGYPCQDGMCGYCHHRRIKISNFSANLT
RSSSSESVDAVLSLSALSPEIKEAIQSVKYIAENMKAQNEAKEIQDDWKYVAMVIDRIFL
WVFTLVCILGTAGLFLQPLMAREDA

BDBM50406134

n/a

Name

BDBM50406134

Synonyms:

CHEMBL5275403

Type

Small organic molecule

Emp. Form.

C18H22ClF3N6O2

Mol. Mass.

446.854

SMILES

Cl.FC(F)(F)c1cnn(c1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(3.57,-1.5,;.59,-6.29,;-.5,-5.2,;-1.99,-5.6,;-.9,-6.69,;-.1,-3.71,;1.25,-3.18,;1.25,-1.61,;-.24,-1.21,;-1.06,-2.5,;-.64,.28,;.28,1.56,;-.64,2.79,;-.18,4.23,;-1.26,5.36,;1.31,4.59,;2.28,3.36,;3.82,3.36,;4.8,4.54,;3.46,4.18,;2.23,4.79,;1.72,6.08,;3.1,6.69,;4.49,6.02,;-2.13,2.33,;-3.46,3.1,;-4.8,2.33,;-4.8,.79,;-3.46,.02,;-2.13,.79,)|

Structure