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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3' and Ligand = 'BDBM50445322'   
Target/Host
(Institution)
LigandTarget/Host
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
Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50445322
PNG
(CHEMBL3104235)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C68H106N24O22S4/c1-32(2)19-36-56(103)87-42(53(72)100)27-115-117-29-44-62(109)86-41(26-93)59(106)85-40(23-52(98)99)66(113)92-18-8-13-48(92)67(114)91-17-7-12-47(91)64(111)89-45(30-118-116-28-43(60(107)88-44)78-50(95)24-70)61(108)80-35(10-5-15-76-68(73)74)54(101)82-37(21-49(71)94)57(104)79-34(9-3-4-14-69)55(102)84-39(20-33-25-75-31-77-33)65(112)90-16-6-11-46(90)63(110)83-38(22-51(96)97)58(105)81-36/h25,31-32,34-48,93H,3-24,26-30,69-70H2,1-2H3,(H2,71,94)(H2,72,100)(H,75,77)(H,78,95)(H,79,104)(H,80,108)(H,81,105)(H,82,101)(H,83,110)(H,84,102)(H,85,106)(H,86,109)(H,87,103)(H,88,107)(H,89,111)(H,96,97)(H,98,99)(H4,73,74,76)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current by voltage clamp el...


J Med Chem 56: 9655-63 (2014)


Article DOI: 10.1021/jm401254c
BindingDB Entry DOI: 10.7270/Q22Z171M
More data for this
Ligand-Target Pair