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SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)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](CCCCCC(O)=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

InChI Key: InChIKey=NFFMDVVQZBWALM-VBCQOBMJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50516337   
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))		BDBM50516337
PNG
(CHEMBL4594136)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)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](CCCCCC(O)=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/C73H109N23O21S4/c1-6-37(4)58-71(115)85-42(12-8-7-9-15-56(99)100)61(105)88-46(22-40-26-77-34-80-40)72(116)96-19-11-14-54(96)70(114)84-43(16-17-57(101)102)62(106)86-44(20-36(2)3)63(107)91-49(59(75)103)29-118-120-32-52-68(112)90-48(28-97)65(109)89-47(23-41-27-78-35-81-41)73(117)95-18-10-13-53(95)69(113)82-38(5)60(104)92-51(31-121-119-30-50(66(110)93-52)83-55(98)24-74)67(111)87-45(64(108)94-58)21-39-25-76-33-79-39/h25-27,33-38,42-54,58,97H,6-24,28-32,74H2,1-5H3,(H2,75,103)(H,76,79)(H,77,80)(H,78,81)(H,82,113)(H,83,98)(H,84,114)(H,85,115)(H,86,106)(H,87,111)(H,88,105)(H,89,109)(H,90,112)(H,91,107)(H,92,104)(H,93,110)(H,94,108)(H,99,100)(H,101,102)/t37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot...

J Med Chem 62: 6262-6275 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00566
More data for this
Ligand-Target Pair