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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50125753'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50125753
PNG
(CHEMBL13985 | N-[2-(7-{6-[8-(2-Acetylamino-ethyl)-...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C34H40N2O4/c1-25(37)35-19-17-29-11-7-9-27-13-15-31(23-33(27)29)39-21-5-3-4-6-22-40-32-16-14-28-10-8-12-30(34(28)24-32)18-20-36-26(2)38/h7-16,23-24H,3-6,17-22H2,1-2H3,(H,35,37)(H,36,38)
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Similars
Article
PubMed
 0.0800n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...

J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair