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BDBM85362 N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5j

SMILES: CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1

InChI Key: InChIKey=UAWFDXYDMQQZPT-UHFFFAOYSA-N

Data: 3 KI

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 = 85362   
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))
BDBM85362
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5j)
Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-12-16-14-17-18(10-7-11-19(17)24-2)22(16)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)
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PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin


J Med Chem 44: 2900-12 (2001)


Article DOI: 10.1021/jm001125h
BindingDB Entry DOI: 10.7270/Q2QC067J
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85362
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5j)
Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-12-16-14-17-18(10-7-11-19(17)24-2)22(16)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)
PDB

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UniChem
Article
PubMed
63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...


J Med Chem 44: 2900-12 (2001)


Article DOI: 10.1021/jm001125h
BindingDB Entry DOI: 10.7270/Q2QC067J
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85362
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5j)
Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-12-16-14-17-18(10-7-11-19(17)24-2)22(16)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
832n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair