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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50274459'   
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
Nociceptin receptor


(RAT)
BDBM50274459
PNG
(CHEMBL524339 | FGGFTGARKSARKFANQ)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C82H127N27O22/c1-44(97-64(115)42-96-79(129)66(47(4)111)109-77(127)57(37-49-22-10-6-11-23-49)100-65(116)41-94-63(114)40-95-70(120)51(85)36-48-20-8-5-9-21-48)67(117)101-54(28-18-34-92-81(88)89)71(121)104-53(27-15-17-33-84)74(124)108-60(43-110)78(128)99-45(2)68(118)102-55(29-19-35-93-82(90)91)72(122)103-52(26-14-16-32-83)73(123)107-58(38-50-24-12-7-13-25-50)75(125)98-46(3)69(119)106-59(39-62(87)113)76(126)105-56(80(130)131)30-31-61(86)112/h5-13,20-25,44-47,51-60,66,110-111H,14-19,26-43,83-85H2,1-4H3,(H2,86,112)(H2,87,113)(H,94,114)(H,95,120)(H,96,129)(H,97,115)(H,98,125)(H,99,128)(H,100,116)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,126)(H,106,119)(H,107,123)(H,108,124)(H,109,127)(H,130,131)(H4,88,89,92)(H4,90,91,93)/t44-,45-,46-,47+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells


Bioorg Med Chem 16: 9261-7 (2008)


Article DOI: 10.1016/j.bmc.2008.09.014
BindingDB Entry DOI: 10.7270/Q2MC90XH
More data for this
Ligand-Target Pair
Nociceptin receptor


(RAT)
BDBM50274459
PNG
(CHEMBL524339 | FGGFTGARKSARKFANQ)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C82H127N27O22/c1-44(97-64(115)42-96-79(129)66(47(4)111)109-77(127)57(37-49-22-10-6-11-23-49)100-65(116)41-94-63(114)40-95-70(120)51(85)36-48-20-8-5-9-21-48)67(117)101-54(28-18-34-92-81(88)89)71(121)104-53(27-15-17-33-84)74(124)108-60(43-110)78(128)99-45(2)68(118)102-55(29-19-35-93-82(90)91)72(122)103-52(26-14-16-32-83)73(123)107-58(38-50-24-12-7-13-25-50)75(125)98-46(3)69(119)106-59(39-62(87)113)76(126)105-56(80(130)131)30-31-61(86)112/h5-13,20-25,44-47,51-60,66,110-111H,14-19,26-43,83-85H2,1-4H3,(H2,86,112)(H2,87,113)(H,94,114)(H,95,120)(H,96,129)(H,97,115)(H,98,125)(H,99,128)(H,100,116)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,126)(H,106,119)(H,107,123)(H,108,124)(H,109,127)(H,130,131)(H4,88,89,92)(H4,90,91,93)/t44-,45-,46-,47+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activation of rat ORL1 receptor expressed in african green monkey COS7 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 9261-7 (2008)


Article DOI: 10.1016/j.bmc.2008.09.014
BindingDB Entry DOI: 10.7270/Q2MC90XH
More data for this
Ligand-Target Pair