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BDBM50097068 CHEMBL3580918

SMILES: COc1ccc2[nH]cc(Cc3n[nH]c(=O)o3)c2c1

InChI Key: InChIKey=DGTHCJFNSOZKMO-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 = 50097068   
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


(Homo sapiens (Human))
BDBM50097068
PNG
(CHEMBL3580918)
Show SMILES COc1ccc2[nH]cc(Cc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C12H11N3O3/c1-17-8-2-3-10-9(5-8)7(6-13-10)4-11-14-15-12(16)18-11/h2-3,5-6,13H,4H2,1H3,(H,15,16)
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Article
PubMed
160n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097068
PNG
(CHEMBL3580918)
Show SMILES COc1ccc2[nH]cc(Cc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C12H11N3O3/c1-17-8-2-3-10-9(5-8)7(6-13-10)4-11-14-15-12(16)18-11/h2-3,5-6,13H,4H2,1H3,(H,15,16)
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50097068
PNG
(CHEMBL3580918)
Show SMILES COc1ccc2[nH]cc(Cc3n[nH]c(=O)o3)c2c1
Show InChI InChI=1S/C12H11N3O3/c1-17-8-2-3-10-9(5-8)7(6-13-10)4-11-14-15-12(16)18-11/h2-3,5-6,13H,4H2,1H3,(H,15,16)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human melatonin receptor-2 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair