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BDBM50411363 CHEMBL269068::UFP-111

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]C([#6])([#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](-[#7])=O)-[#6](-[#7])=O

InChI Key: InChIKey=LBZMGFMIRYMDNB-ZJXZEEHCSA-N

Data: 4 Kd

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 4 hits for monomerid = 50411363   
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


(Cavia porcellus)
BDBM50411363
PNG
(CHEMBL269068 | UFP-111)
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]C([#6])([#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](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C83H140N32O21/c1-45(67(124)106-54(27-17-35-97-80(91)92)70(127)107-51(24-11-14-32-84)69(126)110-55(28-18-36-98-81(93)94)71(128)108-52(25-12-15-33-85)72(129)111-58(40-61(89)119)75(132)105-50(66(90)123)30-31-60(88)118)103-77(134)59(44-116)112-73(130)53(26-13-16-34-86)109-74(131)56(29-19-37-99-82(95)96)113-79(136)83(3,4)115-64(122)43-102-78(135)65(46(2)117)114-76(133)57(39-48-22-9-6-10-23-48)104-63(121)42-100-62(120)41-101-68(125)49(87)38-47-20-7-5-8-21-47/h5-10,20-23,45-46,49-59,65,116-117H,11-19,24-44,84-87H2,1-4H3,(H2,88,118)(H2,89,119)(H2,90,123)(H,100,120)(H,101,125)(H,102,135)(H,103,134)(H,104,121)(H,105,132)(H,106,124)(H,107,127)(H,108,128)(H,109,131)(H,110,126)(H,111,129)(H,112,130)(H,113,136)(H,114,133)(H,115,122)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PDB

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Article
PubMed
n/an/an/a 46.8n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at NOP receptor in Albino guinea pig ileum assessed as effect on electrically stimulated contractions


Bioorg Med Chem 15: 4434-43 (2007)


Article DOI: 10.1016/j.bmc.2007.04.026
BindingDB Entry DOI: 10.7270/Q22R3SVP
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50411363
PNG
(CHEMBL269068 | UFP-111)
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]C([#6])([#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](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C83H140N32O21/c1-45(67(124)106-54(27-17-35-97-80(91)92)70(127)107-51(24-11-14-32-84)69(126)110-55(28-18-36-98-81(93)94)71(128)108-52(25-12-15-33-85)72(129)111-58(40-61(89)119)75(132)105-50(66(90)123)30-31-60(88)118)103-77(134)59(44-116)112-73(130)53(26-13-16-34-86)109-74(131)56(29-19-37-99-82(95)96)113-79(136)83(3,4)115-64(122)43-102-78(135)65(46(2)117)114-76(133)57(39-48-22-9-6-10-23-48)104-63(121)42-100-62(120)41-101-68(125)49(87)38-47-20-7-5-8-21-47/h5-10,20-23,45-46,49-59,65,116-117H,11-19,24-44,84-87H2,1-4H3,(H2,88,118)(H2,89,119)(H2,90,123)(H,100,120)(H,101,125)(H,102,135)(H,103,134)(H,104,121)(H,105,132)(H,106,124)(H,107,127)(H,108,128)(H,109,131)(H,110,126)(H,111,129)(H,112,130)(H,113,136)(H,114,133)(H,115,122)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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Article
PubMed
n/an/an/a 2.09n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human NOP receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem 15: 4434-43 (2007)


Article DOI: 10.1016/j.bmc.2007.04.026
BindingDB Entry DOI: 10.7270/Q22R3SVP
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM50411363
PNG
(CHEMBL269068 | UFP-111)
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]C([#6])([#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](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C83H140N32O21/c1-45(67(124)106-54(27-17-35-97-80(91)92)70(127)107-51(24-11-14-32-84)69(126)110-55(28-18-36-98-81(93)94)71(128)108-52(25-12-15-33-85)72(129)111-58(40-61(89)119)75(132)105-50(66(90)123)30-31-60(88)118)103-77(134)59(44-116)112-73(130)53(26-13-16-34-86)109-74(131)56(29-19-37-99-82(95)96)113-79(136)83(3,4)115-64(122)43-102-78(135)65(46(2)117)114-76(133)57(39-48-22-9-6-10-23-48)104-63(121)42-100-62(120)41-101-68(125)49(87)38-47-20-7-5-8-21-47/h5-10,20-23,45-46,49-59,65,116-117H,11-19,24-44,84-87H2,1-4H3,(H2,88,118)(H2,89,119)(H2,90,123)(H,100,120)(H,101,125)(H,102,135)(H,103,134)(H,104,121)(H,105,132)(H,106,124)(H,107,127)(H,108,128)(H,109,131)(H,110,126)(H,111,129)(H,112,130)(H,113,136)(H,114,133)(H,115,122)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 34.7n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at NOP receptor in Swiss mouse vas deferens by [35S]GTP-gamma-S binding assay


Bioorg Med Chem 15: 4434-43 (2007)


Article DOI: 10.1016/j.bmc.2007.04.026
BindingDB Entry DOI: 10.7270/Q22R3SVP
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50411363
PNG
(CHEMBL269068 | UFP-111)
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]C([#6])([#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](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C83H140N32O21/c1-45(67(124)106-54(27-17-35-97-80(91)92)70(127)107-51(24-11-14-32-84)69(126)110-55(28-18-36-98-81(93)94)71(128)108-52(25-12-15-33-85)72(129)111-58(40-61(89)119)75(132)105-50(66(90)123)30-31-60(88)118)103-77(134)59(44-116)112-73(130)53(26-13-16-34-86)109-74(131)56(29-19-37-99-82(95)96)113-79(136)83(3,4)115-64(122)43-102-78(135)65(46(2)117)114-76(133)57(39-48-22-9-6-10-23-48)104-63(121)42-100-62(120)41-101-68(125)49(87)38-47-20-7-5-8-21-47/h5-10,20-23,45-46,49-59,65,116-117H,11-19,24-44,84-87H2,1-4H3,(H2,88,118)(H2,89,119)(H2,90,123)(H,100,120)(H,101,125)(H,102,135)(H,103,134)(H,104,121)(H,105,132)(H,106,124)(H,107,127)(H,108,128)(H,109,131)(H,110,126)(H,111,129)(H,112,130)(H,113,136)(H,114,133)(H,115,122)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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UniProtKB/SwissProt

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Article
PubMed
n/an/an/a 87.1n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at NOP receptor in Sprague-Dawley rat vas deferens assessed as effect on electrically stimulated contractions


Bioorg Med Chem 15: 4434-43 (2007)


Article DOI: 10.1016/j.bmc.2007.04.026
BindingDB Entry DOI: 10.7270/Q22R3SVP
More data for this
Ligand-Target Pair