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BDBM50240440 4-P-PDOT::CHEMBL285718::N-(4-Phenyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-propionamide::N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propionamide

SMILES: CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1

InChI Key: InChIKey=RCYLUNPFECYGDW-UHFFFAOYNA-N

Data: 8 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 8 hits for monomerid = 50240440   
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


(RABBIT)
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
UniProtKB/TrEMBL

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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
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Article
PubMed
0.460n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells


J Med Chem 52: 826-33 (2009)


Article DOI: 10.1021/jm800974d
BindingDB Entry DOI: 10.7270/Q21J99N3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
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1.5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
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Article
PubMed
1.5n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in African green monkey COS7 cells


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
45.3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
PDB

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CHEMBL
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UniChem

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Article
PubMed
59n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells


J Med Chem 52: 826-33 (2009)


Article DOI: 10.1021/jm800974d
BindingDB Entry DOI: 10.7270/Q21J99N3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
466n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
501n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in African green monkey COS7 cells


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair