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BDBM50274448 CHEMBL504461::FGGFTGARKRKRKLANQ

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]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O

InChI Key: InChIKey=OPYGIVVZZPRQCO-BANXXPNRSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50274448   
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/Orphanin FQ, NOP receptor


(RAT)
BDBM50274448
PNG
(CHEMBL504461 | FGGFTGARKRKRKLANQ)
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]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#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](=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/C85H143N31O21/c1-46(2)39-60(78(132)105-48(4)70(124)114-62(42-64(91)119)79(133)113-59(82(136)137)31-32-63(90)118)115-77(131)55(27-14-17-35-88)110-76(130)58(30-20-38-100-85(96)97)112-73(127)54(26-13-16-34-87)109-75(129)57(29-19-37-99-84(94)95)111-72(126)53(25-12-15-33-86)108-74(128)56(28-18-36-98-83(92)93)107-69(123)47(3)104-66(121)45-103-81(135)68(49(5)117)116-80(134)61(41-51-23-10-7-11-24-51)106-67(122)44-101-65(120)43-102-71(125)52(89)40-50-21-8-6-9-22-50/h6-11,21-24,46-49,52-62,68,117H,12-20,25-45,86-89H2,1-5H3,(H2,90,118)(H2,91,119)(H,101,120)(H,102,125)(H,103,135)(H,104,121)(H,105,132)(H,106,122)(H,107,123)(H,108,128)(H,109,129)(H,110,130)(H,111,126)(H,112,127)(H,113,133)(H,114,124)(H,115,131)(H,116,134)(H,136,137)(H4,92,93,98)(H4,94,95,99)(H4,96,97,100)/t47-,48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-/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 86n/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
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50274448
PNG
(CHEMBL504461 | FGGFTGARKRKRKLANQ)
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]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#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](=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/C85H143N31O21/c1-46(2)39-60(78(132)105-48(4)70(124)114-62(42-64(91)119)79(133)113-59(82(136)137)31-32-63(90)118)115-77(131)55(27-14-17-35-88)110-76(130)58(30-20-38-100-85(96)97)112-73(127)54(26-13-16-34-87)109-75(129)57(29-19-37-99-84(94)95)111-72(126)53(25-12-15-33-86)108-74(128)56(28-18-36-98-83(92)93)107-69(123)47(3)104-66(121)45-103-81(135)68(49(5)117)116-80(134)61(41-51-23-10-7-11-24-51)106-67(122)44-101-65(120)43-102-71(125)52(89)40-50-21-8-6-9-22-50/h6-11,21-24,46-49,52-62,68,117H,12-20,25-45,86-89H2,1-5H3,(H2,90,118)(H2,91,119)(H,101,120)(H,102,125)(H,103,135)(H,104,121)(H,105,132)(H,106,122)(H,107,123)(H,108,128)(H,109,129)(H,110,130)(H,111,126)(H,112,127)(H,113,133)(H,114,124)(H,115,131)(H,116,134)(H,136,137)(H4,92,93,98)(H4,94,95,99)(H4,96,97,100)/t47-,48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-/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 0.940n/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