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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50372282'   
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))
BDBM50372282
PNG
(CHEMBL428076)
Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C46H74N14O8/c1-4-13-37(62)55-33(17-11-24-53-45(49)50)40(64)58-35(26-29-14-7-6-8-15-29)43(67)59-36(27-30-19-21-31(61)22-20-30)42(66)57-34(18-12-25-54-46(51)52)41(65)60-38(28(3)5-2)44(68)56-32(39(48)63)16-9-10-23-47/h6-8,14-15,19-22,28,32-36,38,61H,4-5,9-13,16-18,23-27,47H2,1-3H3,(H2,48,63)(H,55,62)(H,56,68)(H,57,66)(H,58,64)(H,59,67)(H,60,65)(H4,49,50,53)(H4,51,52,54)/t28-,32-,33-,34-,35-,36-,38-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.86n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human ORL1-Galpha fusion receptor in COS7 cells


Bioorg Med Chem 16: 2635-44 (2008)


Article DOI: 10.1016/j.bmc.2007.11.043
BindingDB Entry DOI: 10.7270/Q2416XW9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50372282
PNG
(CHEMBL428076)
Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C46H74N14O8/c1-4-13-37(62)55-33(17-11-24-53-45(49)50)40(64)58-35(26-29-14-7-6-8-15-29)43(67)59-36(27-30-19-21-31(61)22-20-30)42(66)57-34(18-12-25-54-46(51)52)41(65)60-38(28(3)5-2)44(68)56-32(39(48)63)16-9-10-23-47/h6-8,14-15,19-22,28,32-36,38,61H,4-5,9-13,16-18,23-27,47H2,1-3H3,(H2,48,63)(H,55,62)(H,56,68)(H,57,66)(H,58,64)(H,59,67)(H,60,65)(H4,49,50,53)(H4,51,52,54)/t28-,32-,33-,34-,35-,36-,38-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 32.4n/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Activity at human ORL1-Galpha fusion receptor in COS7 cells assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem 16: 2635-44 (2008)


Article DOI: 10.1016/j.bmc.2007.11.043
BindingDB Entry DOI: 10.7270/Q2416XW9
More data for this
Ligand-Target Pair