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BDBM50112200 CHEMBL300056::N-(2-(2-iodo-5-methoxy-1-methyl-1H-indol-3-yl)ethyl)acetamide::N-[2-(2-Iodo-5-methoxy-1-methyl-1H-indol-3-yl)-ethyl]-acetamide

SMILES: COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1

InChI Key: InChIKey=SSMGLPFXFMFFBY-UHFFFAOYSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50112200   
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))
BDBM50112200
PNG
(CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0470n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50112200
PNG
(CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0800n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50112200
PNG
(CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0880n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50112200
PNG
(CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0891n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells


Eur J Med Chem 43: 2861-9 (2008)

More data for this
Ligand-Target Pair