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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50475328'   
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


(Homo sapiens (Human))
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#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]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
0.00500n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#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]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contraction of guinea pig ileum


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#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]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0676n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#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]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0759n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist potency against GTPgammaS binding in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(MOUSE)
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#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]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.437n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contraction of mouse vas deferens


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair