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BDBM50200600 (+)-1-methoxymethyl-3-{1-[3-(5-methoxy-2-methylphenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydro-benzimidazol-2-one::(-)-1-methoxymethyl-3-{1-[3-(5-methoxy-2-methylphenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydro-benzimidazol-2-one::1-methoxymethyl-3-{1-[3-(5-methoxy-2-methylphenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydro-benzimidazol-2-one::CHEMBL238833

SMILES: COCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O

InChI Key: InChIKey=HODPFCFYQOZXPB-UHFFFAOYSA-N

Data: 6 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50200600   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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3n/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
Mu-type opioid 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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70n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 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
Mu-type opioid 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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70n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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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94n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from KOP receptor in guinea pig cortical tissue


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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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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94n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from KOP receptor in guinea pig cortical tissue


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
Delta-type opioid 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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1.25E+3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human DOP receptor expressed in deltaC6 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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n/an/a 81n/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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n/an/a 81n/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