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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50262293'   
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))
BDBM50262293
PNG
(CHEMBL507653 | [D-Asp7,Lys10]N/OFQ(1-13)NH2)
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]-[#6@H](-[#6]-[#6](-[#8])=O)-[#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]-[#6]-[#7])-[#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](-[#7])=O |r|
Show InChI InChI=1S/C65H107N23O16/c1-37(55(96)84-45(24-15-29-75-64(71)72)58(99)83-42(54(70)95)21-9-12-26-66)80-57(98)43(22-10-13-27-67)85-59(100)44(23-11-14-28-68)86-60(101)46(25-16-30-76-65(73)74)87-61(102)48(33-52(93)94)82-51(92)36-79-63(104)53(38(2)89)88-62(103)47(32-40-19-7-4-8-20-40)81-50(91)35-77-49(90)34-78-56(97)41(69)31-39-17-5-3-6-18-39/h3-8,17-20,37-38,41-48,53,89H,9-16,21-36,66-69H2,1-2H3,(H2,70,95)(H,77,90)(H,78,97)(H,79,104)(H,80,98)(H,81,91)(H,82,92)(H,83,99)(H,84,96)(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,93,94)(H4,71,72,75)(H4,73,74,76)/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48+,53-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.79n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50262293
PNG
(CHEMBL507653 | [D-Asp7,Lys10]N/OFQ(1-13)NH2)
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]-[#6@H](-[#6]-[#6](-[#8])=O)-[#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]-[#6]-[#7])-[#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](-[#7])=O |r|
Show InChI InChI=1S/C65H107N23O16/c1-37(55(96)84-45(24-15-29-75-64(71)72)58(99)83-42(54(70)95)21-9-12-26-66)80-57(98)43(22-10-13-27-67)85-59(100)44(23-11-14-28-68)86-60(101)46(25-16-30-76-65(73)74)87-61(102)48(33-52(93)94)82-51(92)36-79-63(104)53(38(2)89)88-62(103)47(32-40-19-7-4-8-20-40)81-50(91)35-77-49(90)34-78-56(97)41(69)31-39-17-5-3-6-18-39/h3-8,17-20,37-38,41-48,53,89H,9-16,21-36,66-69H2,1-2H3,(H2,70,95)(H,77,90)(H,78,97)(H,79,104)(H,80,98)(H,81,91)(H,82,92)(H,83,99)(H,84,96)(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,93,94)(H4,71,72,75)(H4,73,74,76)/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48+,53-/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 106n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair