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BDBM50118457 CHEMBL339840::N-[2-(5,6-Dimethoxy-indan-1-yl)-ethyl]-acetamide

SMILES: COc1cc2CCC(CCNC(C)=O)c2cc1OC

InChI Key: InChIKey=YOZGIWAHPPTVHL-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 = 50118457   
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))
BDBM50118457
PNG
(CHEMBL339840 | N-[2-(5,6-Dimethoxy-indan-1-yl)-eth...)
Show SMILES COc1cc2CCC(CCNC(C)=O)c2cc1OC
Show InChI InChI=1S/C15H21NO3/c1-10(17)16-7-6-11-4-5-12-8-14(18-2)15(19-3)9-13(11)12/h8-9,11H,4-7H2,1-3H3,(H,16,17)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
4.10n/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.


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


(Homo sapiens (Human))
BDBM50118457
PNG
(CHEMBL339840 | N-[2-(5,6-Dimethoxy-indan-1-yl)-eth...)
Show SMILES COc1cc2CCC(CCNC(C)=O)c2cc1OC
Show InChI InChI=1S/C15H21NO3/c1-10(17)16-7-6-11-4-5-12-8-14(18-2)15(19-3)9-13(11)12/h8-9,11H,4-7H2,1-3H3,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
782n/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.


Citation and Details
More data for this
Ligand-Target Pair