BindingDB logo
myBDB logout

BDBM50266453 CHEMBL513933::N-(2-{5-Methoxy-2-[(6-nitro-2,3-dihydro-1H-indol-1yl)methyl)]-1H-indole-3-yl}ethyl) acetamide

SMILES: COc1ccc2[nH]c(CN3CCc4ccc(cc34)[N+]([O-])=O)c(CCNC(C)=O)c2c1

InChI Key: InChIKey=IDSDEOVVGPJJEU-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 = 50266453   
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))
BDBM50266453
PNG
(CHEMBL513933 | N-(2-{5-Methoxy-2-[(6-nitro-2,3-dih...)
Show SMILES COc1ccc2[nH]c(CN3CCc4ccc(cc34)[N+]([O-])=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C22H24N4O4/c1-14(27)23-9-7-18-19-12-17(30-2)5-6-20(19)24-21(18)13-25-10-8-15-3-4-16(26(28)29)11-22(15)25/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,23,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells


J Med Chem 52: 826-33 (2009)


Article DOI: 10.1021/jm800974d
BindingDB Entry DOI: 10.7270/Q21J99N3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50266453
PNG
(CHEMBL513933 | N-(2-{5-Methoxy-2-[(6-nitro-2,3-dih...)
Show SMILES COc1ccc2[nH]c(CN3CCc4ccc(cc34)[N+]([O-])=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C22H24N4O4/c1-14(27)23-9-7-18-19-12-17(30-2)5-6-20(19)24-21(18)13-25-10-8-15-3-4-16(26(28)29)11-22(15)25/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,23,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
309n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells


J Med Chem 52: 826-33 (2009)


Article DOI: 10.1021/jm800974d
BindingDB Entry DOI: 10.7270/Q21J99N3
More data for this
Ligand-Target Pair