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BDBM85236 Melatonin,2-Chloro

SMILES: COc1ccc2[nH]c(Cl)c(CCNC(C)=O)c2c1

InChI Key: InChIKey=NCUNCNOQCUAVBX-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 = 85236   
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))
BDBM85236
PNG
(Melatonin,2-Chloro)
Show SMILES COc1ccc2[nH]c(Cl)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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PC cid
PC sid
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Patents

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85236
PNG
(Melatonin,2-Chloro)
Show SMILES COc1ccc2[nH]c(Cl)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair