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BDBM50475333 CHEMBL264846

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]-c1ccc(F)cc1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O

InChI Key: InChIKey=LBHPHSQWJHMNGV-QMLOSLAFSA-N

Data: 1 KI  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50475333   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475333
PNG
(CHEMBL264846)
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]-c1ccc(F)cc1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H129FN28O21/c1-40(2)32-54(73(125)97-43(5)67(119)105-56(35-59(85)112)74(126)100-49(64(86)116)26-27-58(84)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(89)90)102-66(118)42(4)98-76(128)57(39-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(87)88)101-65(117)41(3)96-61(114)38-95-77(129)63(44(6)110)108-75(127)55(34-46-22-24-47(80)25-23-46)99-62(115)37-93-60(113)36-94-68(120)48(83)33-45-16-8-7-9-17-45/h7-9,16-17,22-25,40-44,48-57,63,109-110H,10-15,18-21,26-39,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,114)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,119)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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1.00E+14n/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)
BDBM50475333
PNG
(CHEMBL264846)
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]-c1ccc(F)cc1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H129FN28O21/c1-40(2)32-54(73(125)97-43(5)67(119)105-56(35-59(85)112)74(126)100-49(64(86)116)26-27-58(84)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(89)90)102-66(118)42(4)98-76(128)57(39-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(87)88)101-65(117)41(3)96-61(114)38-95-77(129)63(44(6)110)108-75(127)55(34-46-22-24-47(80)25-23-46)99-62(115)37-93-60(113)36-94-68(120)48(83)33-45-16-8-7-9-17-45/h7-9,16-17,22-25,40-44,48-57,63,109-110H,10-15,18-21,26-39,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,114)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,119)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90n/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))
BDBM50475333
PNG
(CHEMBL264846)
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]-c1ccc(F)cc1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H129FN28O21/c1-40(2)32-54(73(125)97-43(5)67(119)105-56(35-59(85)112)74(126)100-49(64(86)116)26-27-58(84)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(89)90)102-66(118)42(4)98-76(128)57(39-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(87)88)101-65(117)41(3)96-61(114)38-95-77(129)63(44(6)110)108-75(127)55(34-46-22-24-47(80)25-23-46)99-62(115)37-93-60(113)36-94-68(120)48(83)33-45-16-8-7-9-17-45/h7-9,16-17,22-25,40-44,48-57,63,109-110H,10-15,18-21,26-39,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,114)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,119)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 0.309n/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


(Homo sapiens (Human))
BDBM50475333
PNG
(CHEMBL264846)
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]-c1ccc(F)cc1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H129FN28O21/c1-40(2)32-54(73(125)97-43(5)67(119)105-56(35-59(85)112)74(126)100-49(64(86)116)26-27-58(84)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(89)90)102-66(118)42(4)98-76(128)57(39-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(87)88)101-65(117)41(3)96-61(114)38-95-77(129)63(44(6)110)108-75(127)55(34-46-22-24-47(80)25-23-46)99-62(115)37-93-60(113)36-94-68(120)48(83)33-45-16-8-7-9-17-45/h7-9,16-17,22-25,40-44,48-57,63,109-110H,10-15,18-21,26-39,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,114)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,119)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 0.0661n/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/Orphanin FQ, NOP receptor


(MOUSE)
BDBM50475333
PNG
(CHEMBL264846)
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]-c1ccc(F)cc1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H129FN28O21/c1-40(2)32-54(73(125)97-43(5)67(119)105-56(35-59(85)112)74(126)100-49(64(86)116)26-27-58(84)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(89)90)102-66(118)42(4)98-76(128)57(39-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(87)88)101-65(117)41(3)96-61(114)38-95-77(129)63(44(6)110)108-75(127)55(34-46-22-24-47(80)25-23-46)99-62(115)37-93-60(113)36-94-68(120)48(83)33-45-16-8-7-9-17-45/h7-9,16-17,22-25,40-44,48-57,63,109-110H,10-15,18-21,26-39,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,114)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,119)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.60n/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