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BDBM50054816 CHEMBL343843::condelphine

SMILES: CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)C(CC23)C14

InChI Key: InChIKey=ZEBMMHUDQRRILP-SRMUXAQSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50054816   
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


(Rattus norvegicus (Rat))
BDBM50054816
PNG
(CHEMBL343843 | condelphine)
Show SMILES CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)C(CC23)C14
Show InChI InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15?,16?,17+,18?,19+,20?,21+,22?,23+,24+,25-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor


J Med Chem 39: 4860-6 (1997)


Article DOI: 10.1021/jm9604991
BindingDB Entry DOI: 10.7270/Q2BP03FP
More data for this
Ligand-Target Pair