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BDBM50343608 CHEMBL1774513::N-[2-(7-Isopropyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide

SMILES: CC(C)C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21

InChI Key: InChIKey=DXVLITMLFLDQRO-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50343608   
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))
BDBM50343608
PNG
(CHEMBL1774513 | N-[2-(7-Isopropyl-1,6-dihydro-2H-i...)
Show SMILES CC(C)C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21
Show InChI InChI=1S/C18H23NO2/c1-11(2)16-10-13-4-5-17-15(7-9-21-17)18(13)14(16)6-8-19-12(3)20/h4-5,11H,6-10H2,1-3H3,(H,19,20)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0180n/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))
BDBM50343608
PNG
(CHEMBL1774513 | N-[2-(7-Isopropyl-1,6-dihydro-2H-i...)
Show SMILES CC(C)C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21
Show InChI InChI=1S/C18H23NO2/c1-11(2)16-10-13-4-5-17-15(7-9-21-17)18(13)14(16)6-8-19-12(3)20/h4-5,11H,6-10H2,1-3H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0240n/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