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SMILES: CCCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1

InChI Key: InChIKey=HTZRESPUOXRHMK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50142198   
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 type 1B


(Homo sapiens (Human))
BDBM50142198
PNG
(CHEMBL7229 | N-[4-(3-Methoxy-phenylamino)-phenyl]-...)
Show SMILES CCCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1
Show InChI InChI=1S/C17H20N2O2/c1-3-5-17(20)19-14-10-8-13(9-11-14)18-15-6-4-7-16(12-15)21-2/h4,6-12,18H,3,5H2,1-2H3,(H,19,20)
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PC cid
PC sid
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Similars

Article
PubMed
0.390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50142198
PNG
(CHEMBL7229 | N-[4-(3-Methoxy-phenylamino)-phenyl]-...)
Show SMILES CCCC(=O)Nc1ccc(Nc2cccc(OC)c2)cc1
Show InChI InChI=1S/C17H20N2O2/c1-3-5-17(20)19-14-10-8-13(9-11-14)18-15-6-4-7-16(12-15)21-2/h4,6-12,18H,3,5H2,1-2H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair