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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50372270'   
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))
BDBM50372270
PNG
(CHEMBL403588)
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)C([#6])([#6])[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C48H78N14O8/c1-6-29(3)38(44(69)57-33(39(50)64)17-11-12-24-49)62-41(66)34(18-13-25-55-46(51)52)58-42(67)37(28-31-20-22-32(63)23-21-31)60-43(68)36(27-30-15-9-8-10-16-30)59-40(65)35(19-14-26-56-47(53)54)61-45(70)48(4,5)7-2/h8-10,15-16,20-23,29,33-38,63H,6-7,11-14,17-19,24-28,49H2,1-5H3,(H2,50,64)(H,57,69)(H,58,67)(H,59,65)(H,60,68)(H,61,70)(H,62,66)(H4,51,52,55)(H4,53,54,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45.5n/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))
BDBM50372270
PNG
(CHEMBL403588)
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)C([#6])([#6])[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C48H78N14O8/c1-6-29(3)38(44(69)57-33(39(50)64)17-11-12-24-49)62-41(66)34(18-13-25-55-46(51)52)58-42(67)37(28-31-20-22-32(63)23-21-31)60-43(68)36(27-30-15-9-8-10-16-30)59-40(65)35(19-14-26-56-47(53)54)61-45(70)48(4,5)7-2/h8-10,15-16,20-23,29,33-38,63H,6-7,11-14,17-19,24-28,49H2,1-5H3,(H2,50,64)(H,57,69)(H,58,67)(H,59,65)(H,60,68)(H,61,70)(H,62,66)(H4,51,52,55)(H4,53,54,56)/t29-,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 17.7n/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