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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50200600'   
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))
BDBM50200600
PNG
((+)-1-methoxymethyl-3-{1-[3-(5-methoxy-2-methylphe...)
Show SMILES COCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:17.18|
Show InChI InChI=1S/C28H39N3O4/c1-20(2)26(35-27-18-23(34-5)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-33-4)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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Article
PubMed
153n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


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


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200600
PNG
((+)-1-methoxymethyl-3-{1-[3-(5-methoxy-2-methylphe...)
Show SMILES COCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:17.18|
Show InChI InChI=1S/C28H39N3O4/c1-20(2)26(35-27-18-23(34-5)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-33-4)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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PubMed
n/an/a 27n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200600
PNG
((+)-1-methoxymethyl-3-{1-[3-(5-methoxy-2-methylphe...)
Show SMILES COCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:17.18|
Show InChI InChI=1S/C28H39N3O4/c1-20(2)26(35-27-18-23(34-5)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-33-4)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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PC sid
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair