Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4' and Ligand = 'BDBM50516339' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4
(Homo sapiens (Human)) | BDBM50516339
(CHEMBL4461702)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C66H100N22O21S4/c1-6-31(4)51-64(107)78-37(18-48(68)91)56(99)79-38(16-33-20-70-28-72-33)65(108)88-14-8-10-47(88)63(106)76-35(11-12-50(93)94)54(97)77-36(15-30(2)3)55(98)83-42(52(69)95)24-110-112-27-45-61(104)81-40(22-89)57(100)80-39(17-34-21-71-29-73-34)66(109)87-13-7-9-46(87)62(105)74-32(5)53(96)84-44(60(103)82-41(23-90)58(101)86-51)26-113-111-25-43(59(102)85-45)75-49(92)19-67/h20-21,28-32,35-47,51,89-90H,6-19,22-27,67H2,1-5H3,(H2,68,91)(H2,69,95)(H,70,72)(H,71,73)(H,74,105)(H,75,92)(H,76,106)(H,77,97)(H,78,107)(H,79,99)(H,80,100)(H,81,104)(H,82,103)(H,83,98)(H,84,96)(H,85,102)(H,86,101)(H,93,94)/t31-,32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50516339
(CHEMBL4461702)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C66H100N22O21S4/c1-6-31(4)51-64(107)78-37(18-48(68)91)56(99)79-38(16-33-20-70-28-72-33)65(108)88-14-8-10-47(88)63(106)76-35(11-12-50(93)94)54(97)77-36(15-30(2)3)55(98)83-42(52(69)95)24-110-112-27-45-61(104)81-40(22-89)57(100)80-39(17-34-21-71-29-73-34)66(109)87-13-7-9-46(87)62(105)74-32(5)53(96)84-44(60(103)82-41(23-90)58(101)86-51)26-113-111-25-43(59(102)85-45)75-49(92)19-67/h20-21,28-32,35-47,51,89-90H,6-19,22-27,67H2,1-5H3,(H2,68,91)(H2,69,95)(H,70,72)(H,71,73)(H,74,105)(H,75,92)(H,76,106)(H,77,97)(H,78,107)(H,79,99)(H,80,100)(H,81,104)(H,82,103)(H,83,98)(H,84,96)(H,85,102)(H,86,101)(H,93,94)/t31-,32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 308 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measu... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3 |
More data for this
Ligand-Target Pair | |
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