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SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50547501   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Rattus norvegicus (Rat))
BDBM50547501
PNG
(CHEMBL4788244)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat alpha3beta2 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit gamma


(Rattus norvegicus)
BDBM50547501
PNG
(CHEMBL4788244)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat (alpha1)2betagammadelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current respons...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT
More data for this
Ligand-Target Pair