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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-9 subunit'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-9 subunit


(Homo sapiens)
BDBM50170593
PNG
((3S)-3-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-...)
Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C49H77N19O14S3/c1-23(39(74)63-29(15-24-18-58-26-8-3-2-7-25(24)26)41(76)61-27(38(51)73)9-4-12-56-48(52)53)59-43(78)33(21-84)66-40(75)28(10-5-13-57-49(54)55)62-46(81)35-11-6-14-68(35)47(82)30(16-37(71)72)64-42(77)31(19-69)65-45(80)34(22-85)67-44(79)32(20-83)60-36(70)17-50/h2-3,7-8,18,23,27-35,58,69,83-85H,4-6,9-17,19-22,50H2,1H3,(H2,51,73)(H,59,78)(H,60,70)(H,61,76)(H,62,81)(H,63,74)(H,64,77)(H,65,80)(H,66,75)(H,67,79)(H,71,72)(H4,52,53,56)(H4,54,55,57)/t23-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
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AffyNet 
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha9; Range is 100-200 nM


Citation and Details
More data for this
Ligand-Target Pair