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SMILES: COc1ccc2[nH]cc(\C=C\NC(C)=O)c2c1

InChI Key: InChIKey=RYQGOFZMNWHRAH-AATRIKPKSA-N

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 = 50471111   
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 1A/1B


(Homo sapiens (Human))
BDBM50471111
PNG
(CHEMBL60719)
Show SMILES COc1ccc2[nH]cc(\C=C\NC(C)=O)c2c1
Show InChI InChI=1S/C13H14N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-8,15H,1-2H3,(H,14,16)/b6-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471111
PNG
(CHEMBL60719)
Show SMILES COc1ccc2[nH]cc(\C=C\NC(C)=O)c2c1
Show InChI InChI=1S/C13H14N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-8,15H,1-2H3,(H,14,16)/b6-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair