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BDBM50118445 CHEMBL134832::N-[2-(6-Methoxy-indan-1-yl)-ethyl]-isobutyramide

SMILES: COc1ccc2CCC(CCNC(=O)C(C)C)c2c1

InChI Key: InChIKey=SOXXIXGGIULERY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50118445   
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))
BDBM50118445
PNG
(CHEMBL134832 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...)
Show SMILES COc1ccc2CCC(CCNC(=O)C(C)C)c2c1
Show InChI InChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.25n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50118445
PNG
(CHEMBL134832 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...)
Show SMILES COc1ccc2CCC(CCNC(=O)C(C)C)c2c1
Show InChI InChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
2.27E+3n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.


J Med Chem 45: 4212-21 (2002)


BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair