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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50372274'   
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))
BDBM50372274
PNG
(CHEMBL270394)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C47H76N14O8/c1-5-28(3)38(45(69)56-33(39(49)63)16-10-11-23-48)61-42(66)35(18-13-25-55-47(52)53)58-43(67)37(27-31-19-21-32(62)22-20-31)60-44(68)36(26-30-14-8-7-9-15-30)59-41(65)34(17-12-24-54-46(50)51)57-40(64)29(4)6-2/h7-9,14-15,19-22,28-29,33-38,62H,5-6,10-13,16-18,23-27,48H2,1-4H3,(H2,49,63)(H,56,69)(H,57,64)(H,58,67)(H,59,65)(H,60,68)(H,61,66)(H4,50,51,54)(H4,52,53,55)/t28-,29?,33-,34-,35-,36-,37-,38-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21.3n/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))
BDBM50372274
PNG
(CHEMBL270394)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C47H76N14O8/c1-5-28(3)38(45(69)56-33(39(49)63)16-10-11-23-48)61-42(66)35(18-13-25-55-47(52)53)58-43(67)37(27-31-19-21-32(62)22-20-31)60-44(68)36(26-30-14-8-7-9-15-30)59-41(65)34(17-12-24-54-46(50)51)57-40(64)29(4)6-2/h7-9,14-15,19-22,28-29,33-38,62H,5-6,10-13,16-18,23-27,48H2,1-4H3,(H2,49,63)(H,56,69)(H,57,64)(H,58,67)(H,59,65)(H,60,68)(H,61,66)(H4,50,51,54)(H4,52,53,55)/t28-,29?,33-,34-,35-,36-,37-,38-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 52.7n/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