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BDBM50343591 CHEMBL1774530::N-{2-[7-(4-tert-Butylphenyl)-1,6-dihydro-2H-indeno[5,4-b]-furan-8-yl]ethyl}acetamide

SMILES: CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=HGMZZYFYERWUDL-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 = 50343591   
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))
BDBM50343591
PNG
(CHEMBL1774530 | N-{2-[7-(4-tert-Butylphenyl)-1,6-d...)
Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H29NO2/c1-16(27)26-13-11-20-22(17-5-8-19(9-6-17)25(2,3)4)15-18-7-10-23-21(24(18)20)12-14-28-23/h5-10H,11-15H2,1-4H3,(H,26,27)
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.770n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting


J Med Chem 54: 3436-44 (2011)


Article DOI: 10.1021/jm200221q
BindingDB Entry DOI: 10.7270/Q2028RVN
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50343591
PNG
(CHEMBL1774530 | N-{2-[7-(4-tert-Butylphenyl)-1,6-d...)
Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H29NO2/c1-16(27)26-13-11-20-22(17-5-8-19(9-6-17)25(2,3)4)15-18-7-10-23-21(24(18)20)12-14-28-23/h5-10H,11-15H2,1-4H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO cells by microscintillation counting


J Med Chem 54: 3436-44 (2011)


Article DOI: 10.1021/jm200221q
BindingDB Entry DOI: 10.7270/Q2028RVN
More data for this
Ligand-Target Pair