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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor' and Ligand = 'BDBM50413780'   
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
Neuropeptide S receptor


(Mus musculus)
BDBM50413780
PNG
(CHEMBL507664)
Show SMILES [#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C93H156N30O26S/c1-8-23-56(110-86(143)66(44-69(99)129)119-79(136)60(32-22-40-105-93(102)103)114-84(141)64(117-76(133)55(97)47-124)42-53-24-11-9-12-25-53)82(139)122-72(49(2)3)88(145)106-46-71(131)121-73(51(5)126)89(146)107-45-70(130)109-62(35-41-150-7)81(138)111-57(28-15-18-36-94)78(135)112-58(29-16-19-37-95)83(140)123-74(52(6)127)90(147)120-67(48-125)87(144)118-65(43-54-26-13-10-14-27-54)85(142)115-61(33-34-68(98)128)80(137)113-59(31-21-39-104-92(100)101)77(134)108-50(4)75(132)116-63(91(148)149)30-17-20-38-96/h9-14,24-27,49-52,55-67,72-74,124-127H,8,15-23,28-48,94-97H2,1-7H3,(H2,98,128)(H2,99,129)(H,106,145)(H,107,146)(H,108,134)(H,109,130)(H,110,143)(H,111,138)(H,112,135)(H,113,137)(H,114,141)(H,115,142)(H,116,132)(H,117,133)(H,118,144)(H,119,136)(H,120,147)(H,121,131)(H,122,139)(H,123,140)(H,148,149)(H4,100,101,104)(H4,102,103,105)/t50-,51+,52+,55-,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.69E+3n/an/an/an/a



National Institute of Neuroscienc

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay


J Med Chem 52: 4068-71 (2009)


Article DOI: 10.1021/jm900604g
BindingDB Entry DOI: 10.7270/Q2445NQD
More data for this
Ligand-Target Pair