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BDBM50230548 CHEMBL171393

SMILES: Clc1cc2C3CCCCC3Oc2c(c1)C(=O)NC1CN2CCC1CC2

InChI Key:

Data: 1 KI

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 1 hit for monomerid = 50230548   
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 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230548
PNG
(CHEMBL171393)
Show SMILES Clc1cc2C3CCCCC3Oc2c(c1)C(=O)NC1CN2CCC1CC2 |(.29,-2.43,;1.62,-3.2,;1.62,-4.74,;2.96,-5.51,;3.27,-7.02,;2.36,-8.24,;2.96,-9.66,;4.49,-9.85,;5.42,-8.61,;4.8,-7.19,;5.44,-5.79,;4.3,-4.74,;4.29,-3.2,;2.95,-2.43,;5.62,-2.43,;5.61,-.89,;6.96,-3.18,;8.29,-2.41,;9.62,-3.18,;10.95,-2.41,;10.36,-1.43,;9.03,-2.22,;8.28,-.89,;9.62,-.1,;10.95,-.87,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.740n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




J Med Chem 35: 903-11 (1992)


BindingDB Entry DOI: 10.7270/Q20004BR
More data for this
Ligand-Target Pair