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SMILES: O=C1CC2Cc3ccsc3C2=NN1CCCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1

InChI Key:

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 3 hits for monomerid = 50614142   
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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50614142
PNG
(CHEMBL5285645)
Show SMILES O=C1CC2Cc3ccsc3C2=NN1CCCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
68n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50614142
PNG
(CHEMBL5285645)
Show SMILES O=C1CC2Cc3ccsc3C2=NN1CCCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
5.16E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50614142
PNG
(CHEMBL5285645)
Show SMILES O=C1CC2Cc3ccsc3C2=NN1CCCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9.18E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair