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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50375376'   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50375376
PNG
(CHEMBL260521)
Show SMILES CCN(CC)C(=O)c1ccc(CN2C[C@@H]3CC=C([C@H]2CN3CC=C)c2ccccc2)cc1 |wU:14.21,wD:18.18,c:16,TLB:24:17:20.19:13.12,11:12:20.19:15.16.17,THB:21:20:13.12:15.16.17,(-6.25,1.75,;-4.91,2.52,;-3.58,1.75,;-3.58,.21,;-4.91,-.56,;-2.25,2.51,;-2.25,4.06,;-.92,1.75,;-.92,.2,;.41,-.57,;1.74,.2,;3.07,-.57,;4.45,.13,;5.5,1.31,;7.09,1.26,;8.07,-.07,;7.61,-1.64,;7.04,-.4,;5.74,.25,;6.58,1.88,;7.78,2.62,;8.82,3.74,;10.33,3.41,;11.37,4.53,;5.95,-1.5,;4.45,-1.04,;3.37,-2.13,;3.72,-3.61,;5.21,-4.05,;6.3,-2.97,;1.74,1.75,;.41,2.51,)|
Show InChI InChI=1S/C28H35N3O/c1-4-18-30-21-27-26(23-10-8-7-9-11-23)17-16-25(30)20-31(27)19-22-12-14-24(15-13-22)28(32)29(5-2)6-3/h4,7-15,17,25,27H,1,5-6,16,18-21H2,2-3H3/t25-,27+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.80E+3n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 2870-85 (2008)


Article DOI: 10.1016/j.bmc.2008.01.004
BindingDB Entry DOI: 10.7270/Q2416XXR
More data for this
Ligand-Target Pair