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BDBM50342769 CHEMBL1770214::N-[2-(7-methoxycarbonylamino-naphth-1-yl)ethyl]acetamide

SMILES: COC(=O)Nc1ccc2cccc(CCNC(C)=O)c2c1

InChI Key: InChIKey=SHZBHGJUHWSBAF-UHFFFAOYSA-N

Data: 3 IC50

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 = 50342769   
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))
BDBM50342769
PNG
(CHEMBL1770214 | N-[2-(7-methoxycarbonylamino-napht...)
Show SMILES COC(=O)Nc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C16H18N2O3/c1-11(19)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)18-16(20)21-2/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to human MT1 receptor


Eur J Med Chem 46: 1622-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.010
BindingDB Entry DOI: 10.7270/Q2PZ594W
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50342769
PNG
(CHEMBL1770214 | N-[2-(7-methoxycarbonylamino-napht...)
Show SMILES COC(=O)Nc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C16H18N2O3/c1-11(19)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)18-16(20)21-2/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.390n/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to human MT3 receptor


Eur J Med Chem 46: 1622-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.010
BindingDB Entry DOI: 10.7270/Q2PZ594W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50342769
PNG
(CHEMBL1770214 | N-[2-(7-methoxycarbonylamino-napht...)
Show SMILES COC(=O)Nc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C16H18N2O3/c1-11(19)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)18-16(20)21-2/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to human MT2 receptor


Eur J Med Chem 46: 1622-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.010
BindingDB Entry DOI: 10.7270/Q2PZ594W
More data for this
Ligand-Target Pair