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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50274465'   
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)
BDBM50274465
PNG
(CHEMBL455289 | FGGFTGARKSARKLVNQ)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#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@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#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/C81H133N27O22/c1-42(2)34-55(74(124)107-64(43(3)4)78(128)105-57(37-60(86)112)73(123)103-54(79(129)130)28-29-59(85)111)104-71(121)50(24-14-16-30-82)101-70(120)53(27-19-33-92-81(89)90)100-67(117)45(6)97-76(126)58(41-109)106-72(122)51(25-15-17-31-83)102-69(119)52(26-18-32-91-80(87)88)99-66(116)44(5)96-62(114)40-95-77(127)65(46(7)110)108-75(125)56(36-48-22-12-9-13-23-48)98-63(115)39-93-61(113)38-94-68(118)49(84)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64-65,109-110H,14-19,24-41,82-84H2,1-7H3,(H2,85,111)(H2,86,112)(H,93,113)(H,94,118)(H,95,127)(H,96,114)(H,97,126)(H,98,115)(H,99,116)(H,100,117)(H,101,120)(H,102,119)(H,103,123)(H,104,121)(H,105,128)(H,106,122)(H,107,124)(H,108,125)(H,129,130)(H4,87,88,91)(H4,89,90,92)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,65-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.20n/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)
BDBM50274465
PNG
(CHEMBL455289 | FGGFTGARKSARKLVNQ)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#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@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#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/C81H133N27O22/c1-42(2)34-55(74(124)107-64(43(3)4)78(128)105-57(37-60(86)112)73(123)103-54(79(129)130)28-29-59(85)111)104-71(121)50(24-14-16-30-82)101-70(120)53(27-19-33-92-81(89)90)100-67(117)45(6)97-76(126)58(41-109)106-72(122)51(25-15-17-31-83)102-69(119)52(26-18-32-91-80(87)88)99-66(116)44(5)96-62(114)40-95-77(127)65(46(7)110)108-75(125)56(36-48-22-12-9-13-23-48)98-63(115)39-93-61(113)38-94-68(118)49(84)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64-65,109-110H,14-19,24-41,82-84H2,1-7H3,(H2,85,111)(H2,86,112)(H,93,113)(H,94,118)(H,95,127)(H,96,114)(H,97,126)(H,98,115)(H,99,116)(H,100,117)(H,101,120)(H,102,119)(H,103,123)(H,104,121)(H,105,128)(H,106,122)(H,107,124)(H,108,125)(H,129,130)(H4,87,88,91)(H4,89,90,92)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,65-/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 30n/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