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BDBM50118443 2,2,2-Trifluoro-N-(6-methoxy-indan-1-ylmethyl)-acetamide::CHEMBL132753

SMILES: COc1ccc2CCC(CNC(=O)C(F)(F)F)c2c1

InChI Key: InChIKey=DANSBSBFZAMOOR-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 = 50118443   
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))
BDBM50118443
PNG
(2,2,2-Trifluoro-N-(6-methoxy-indan-1-ylmethyl)-ace...)
Show SMILES COc1ccc2CCC(CNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C13H14F3NO2/c1-19-10-5-4-8-2-3-9(11(8)6-10)7-17-12(18)13(14,15)16/h4-6,9H,2-3,7H2,1H3,(H,17,18)
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
29n/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))
BDBM50118443
PNG
(2,2,2-Trifluoro-N-(6-methoxy-indan-1-ylmethyl)-ace...)
Show SMILES COc1ccc2CCC(CNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C13H14F3NO2/c1-19-10-5-4-8-2-3-9(11(8)6-10)7-17-12(18)13(14,15)16/h4-6,9H,2-3,7H2,1H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
428n/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