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SMILES: CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O

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 5 hits for monomerid = 50575514   
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
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50575514
PNG
(CHEMBL4852440)
Show SMILES CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.240n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50575514
PNG
(CHEMBL4852440)
Show SMILES CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.340n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50575514
PNG
(CHEMBL4852440)
Show SMILES CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 0.0500n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50575514
PNG
(CHEMBL4852440)
Show SMILES CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 0.320n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50575514
PNG
(CHEMBL4852440)
Show SMILES CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 0.0370n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair