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BDBM327460 4-amino-5-chloro-[[1-(cyclohexylmethyl)-4-piperidyl]methyl]-2-methoxybenzamide::US9663465, 17

SMILES: COc1c(CC2CCN(CC3CCCCC3)CC2)c(N)c(Cl)cc1C(N)=O

InChI Key: InChIKey=YSNREIFGEZOQOI-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 327460   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM327460
PNG
(4-amino-5-chloro-[[1-(cyclohexylmethyl)-4-piperidy...)
Show SMILES COc1c(CC2CCN(CC3CCCCC3)CC2)c(N)c(Cl)cc1C(N)=O
Show InChI InChI=1S/C21H32ClN3O2/c1-27-20-16(19(23)18(22)12-17(20)21(24)26)11-14-7-9-25(10-8-14)13-15-5-3-2-4-6-15/h12,14-15H,2-11,13,23H2,1H3,(H2,24,26)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.30n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...


US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM327460
PNG
(4-amino-5-chloro-[[1-(cyclohexylmethyl)-4-piperidy...)
Show SMILES COc1c(CC2CCN(CC3CCCCC3)CC2)c(N)c(Cl)cc1C(N)=O
Show InChI InChI=1S/C21H32ClN3O2/c1-27-20-16(19(23)18(22)12-17(20)21(24)26)11-14-7-9-25(10-8-14)13-15-5-3-2-4-6-15/h12,14-15H,2-11,13,23H2,1H3,(H2,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.73E+3n/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Acetylcholinesterase extracted from human erythrocytes (buffered aqueous solution, ≧500 units/mg, Sigma Aldrich) is diluted in a 20 mM HEPES bu...


US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair