BindingDB logo
myBDB logout

PubMed code 12951102

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132647
PNG
(1-(3,3-Diphenyl-propyl)-4-(3-trifluoromethyl-pheny...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3NO/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132644
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphe...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H27ClF3NO/c28-25-12-11-22(19-24(25)27(29,30)31)26(33)14-17-32(18-15-26)16-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,23,33H,13-18H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132645
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-isoprop...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F |(16.53,-7.57,;14.99,-7.59,;14.24,-8.94,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;10.27,-2.36,;9.48,-1.03,;10.23,.32,;10.06,1.84,;11.77,.35,;12.56,-.98,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;4.32,-1.38,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H29ClF3NO/c1-14(2)15-3-6-17(7-4-15)26-11-9-20(27,10-12-26)16-5-8-19(22)18(13-16)21(23,24)25/h5,8,13-15,17,27H,3-4,6-7,9-12H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132639
PNG
(1-(4-Isopropyl-cyclohexyl)-4-(3-trifluoromethyl-ph...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H30F3NO/c1-15(2)16-6-8-19(9-7-16)25-12-10-20(26,11-13-25)17-4-3-5-18(14-17)21(22,23)24/h3-5,14-16,19,26H,6-13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
12n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132650
PNG
(1-(Decahydro-naphthalen-2-yl)-4-(3-trifluoromethyl...)
Show SMILES OC1(CCN(CC1)C1CCC2CCCCC2C1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H30F3NO/c23-22(24,25)19-7-3-6-18(15-19)21(27)10-12-26(13-11-21)20-9-8-16-4-1-2-5-17(16)14-20/h3,6-7,15-17,20,27H,1-2,4-5,8-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
12n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132641
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-indan-2-yl...)
Show SMILES OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3NO/c22-19-6-5-16(13-18(19)21(23,24)25)20(27)7-9-26(10-8-20)17-11-14-3-1-2-4-15(14)12-17/h1-6,13,17,27H,7-12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
19n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132650
PNG
(1-(Decahydro-naphthalen-2-yl)-4-(3-trifluoromethyl...)
Show SMILES OC1(CCN(CC1)C1CCC2CCCCC2C1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H30F3NO/c23-22(24,25)19-7-3-6-18(15-19)21(27)10-12-26(13-11-21)20-9-8-16-4-1-2-5-17(16)14-20/h3,6-7,15-17,20,27H,1-2,4-5,8-14H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
21n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132645
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-isoprop...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F |(16.53,-7.57,;14.99,-7.59,;14.24,-8.94,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;10.27,-2.36,;9.48,-1.03,;10.23,.32,;10.06,1.84,;11.77,.35,;12.56,-.98,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;4.32,-1.38,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H29ClF3NO/c1-14(2)15-3-6-17(7-4-15)26-11-9-20(27,10-12-26)16-5-8-19(22)18(13-16)21(23,24)25/h5,8,13-15,17,27H,3-4,6-7,9-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
33n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132639
PNG
(1-(4-Isopropyl-cyclohexyl)-4-(3-trifluoromethyl-ph...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H30F3NO/c1-15(2)16-6-8-19(9-7-16)25-12-10-20(26,11-13-25)17-4-3-5-18(14-17)21(22,23)24/h3-5,14-16,19,26H,6-13H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
36n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132642
PNG
(1-(4-Propyl-cyclohexyl)-4-(3-trifluoromethyl-pheny...)
Show SMILES CCCC1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(12.47,-8.29,;11.67,-6.98,;12.42,-5.62,;11.63,-4.3,;12.37,-2.95,;11.58,-1.63,;10.06,-1.66,;9.31,-3.02,;10.09,-4.32,;9.26,-.35,;10.01,1,;9.2,2.33,;7.66,2.29,;7.5,3.83,;6.91,.95,;7.72,-.38,;6.17,1.86,;5.79,.37,;4.32,-.05,;3.23,1.02,;3.6,2.5,;5.09,2.92,;2.48,3.56,;1.38,4.62,;3.55,4.68,;1.43,2.44,)|
Show InChI InChI=1S/C21H30F3NO/c1-2-4-16-7-9-19(10-8-16)25-13-11-20(26,12-14-25)17-5-3-6-18(15-17)21(22,23)24/h3,5-6,15-16,19,26H,2,4,7-14H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
46n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132643
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-cyclooctyl...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H29ClF3NO/c22-19-9-8-17(14-18(19)21(23,24)25)20(27)10-12-26(13-11-20)15-16-6-4-2-1-3-5-7-16/h8-9,14,16,27H,1-7,10-13,15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
47n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132641
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-indan-2-yl...)
Show SMILES OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3NO/c22-19-6-5-16(13-18(19)21(23,24)25)20(27)7-9-26(10-8-20)17-11-14-3-1-2-4-15(14)12-17/h1-6,13,17,27H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
82n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132652
PNG
(1-Cyclooctylmethyl-4-(3-trifluoromethyl-phenyl)-pi...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H30F3NO/c22-21(23,24)19-10-6-9-18(15-19)20(26)11-13-25(14-12-20)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17,26H,1-5,7-8,11-14,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
102n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132652
PNG
(1-Cyclooctylmethyl-4-(3-trifluoromethyl-phenyl)-pi...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H30F3NO/c22-21(23,24)19-10-6-9-18(15-19)20(26)11-13-25(14-12-20)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17,26H,1-5,7-8,11-14,16H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
113n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132647
PNG
(1-(3,3-Diphenyl-propyl)-4-(3-trifluoromethyl-pheny...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3NO/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
116n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132643
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-cyclooctyl...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H29ClF3NO/c22-19-9-8-17(14-18(19)21(23,24)25)20(27)10-12-26(13-11-20)15-16-6-4-2-1-3-5-7-16/h8-9,14,16,27H,1-7,10-13,15H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
124n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132642
PNG
(1-(4-Propyl-cyclohexyl)-4-(3-trifluoromethyl-pheny...)
Show SMILES CCCC1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(12.47,-8.29,;11.67,-6.98,;12.42,-5.62,;11.63,-4.3,;12.37,-2.95,;11.58,-1.63,;10.06,-1.66,;9.31,-3.02,;10.09,-4.32,;9.26,-.35,;10.01,1,;9.2,2.33,;7.66,2.29,;7.5,3.83,;6.91,.95,;7.72,-.38,;6.17,1.86,;5.79,.37,;4.32,-.05,;3.23,1.02,;3.6,2.5,;5.09,2.92,;2.48,3.56,;1.38,4.62,;3.55,4.68,;1.43,2.44,)|
Show InChI InChI=1S/C21H30F3NO/c1-2-4-16-7-9-19(10-8-16)25-13-11-20(26,12-14-25)17-5-3-6-18(15-17)21(22,23)24/h3,5-6,15-16,19,26H,2,4,7-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
135n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132654
PNG
(4-(4-Chloro-phenyl)-1-naphthalen-2-ylmethyl-piperi...)
Show SMILES OC1(CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClNO/c23-21-9-7-20(8-10-21)22(25)11-13-24(14-12-22)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15,25H,11-14,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
153n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132644
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphe...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H27ClF3NO/c28-25-12-11-22(19-24(25)27(29,30)31)26(33)14-17-32(18-15-26)16-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,23,33H,13-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
225n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132658
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-fluoro-...)
Show SMILES OC1(CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H18ClF4NO/c20-17-6-3-14(11-16(17)19(22,23)24)18(26)7-9-25(10-8-18)12-13-1-4-15(21)5-2-13/h1-6,11,26H,7-10,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
234n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132655
PNG
(4-(4-Chloro-phenyl)-1-(4-trifluoromethyl-benzyl)-p...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClF3NO/c20-17-7-5-15(6-8-17)18(25)9-11-24(12-10-18)13-14-1-3-16(4-2-14)19(21,22)23/h1-8,25H,9-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
307n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132648
PNG
(4-(4-Chloro-phenyl)-1-cyclooctylmethyl-piperidin-4...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H30ClNO/c21-19-10-8-18(9-11-19)20(23)12-14-22(15-13-20)16-17-6-4-2-1-3-5-7-17/h8-11,17,23H,1-7,12-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
502n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132648
PNG
(4-(4-Chloro-phenyl)-1-cyclooctylmethyl-piperidin-4...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H30ClNO/c21-19-10-8-18(9-11-19)20(23)12-14-22(15-13-20)16-17-6-4-2-1-3-5-7-17/h8-11,17,23H,1-7,12-16H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
626n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132646
PNG
(1-(4-Fluoro-benzyl)-4-(3-trifluoromethyl-phenyl)-p...)
Show SMILES OC1(CCN(Cc2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H19F4NO/c20-17-6-4-14(5-7-17)13-24-10-8-18(25,9-11-24)15-2-1-3-16(12-15)19(21,22)23/h1-7,12,25H,8-11,13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
692n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132664
PNG
(1-Naphthalen-2-ylmethyl-4-(3-trifluoromethyl-pheny...)
Show SMILES OC1(CCN(Cc2ccc3ccccc3c2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO/c24-23(25,26)21-7-3-6-20(15-21)22(28)10-12-27(13-11-22)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15,28H,10-13,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
715n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132663
PNG
(1-Naphthalen-1-ylmethyl-4-phenyl-piperidine-4-carb...)
Show SMILES N#CC1(CCN(Cc2cccc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C23H22N2/c24-18-23(21-10-2-1-3-11-21)13-15-25(16-14-23)17-20-9-6-8-19-7-4-5-12-22(19)20/h1-12H,13-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
827n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132662
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-naphthalen...)
Show SMILES OC1(CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H21ClF3NO/c24-21-8-7-19(14-20(21)23(25,26)27)22(29)9-11-28(12-10-22)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,29H,9-12,15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
879n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132656
PNG
(1-Naphthalen-2-ylmethyl-4-phenyl-piperidine-4-carb...)
Show SMILES N#CC1(CCN(Cc2ccc3ccccc3c2)CC1)c1ccccc1
Show InChI InChI=1S/C23H22N2/c24-18-23(22-8-2-1-3-9-22)12-14-25(15-13-23)17-19-10-11-20-6-4-5-7-21(20)16-19/h1-11,16H,12-15,17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.11E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132651
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-trifluo...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF6NO/c21-17-6-5-15(11-16(17)20(25,26)27)18(29)7-9-28(10-8-18)12-13-1-3-14(4-2-13)19(22,23)24/h1-6,11,29H,7-10,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.19E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132659
PNG
(1-(3,4-Dichloro-benzyl)-4-phenyl-piperidine-4-carb...)
Show SMILES Clc1ccc(CN2CCC(CC2)(C#N)c2ccccc2)cc1Cl
Show InChI InChI=1S/C19H18Cl2N2/c20-17-7-6-15(12-18(17)21)13-23-10-8-19(14-22,9-11-23)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.27E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50132643
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-cyclooctyl...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H29ClF3NO/c22-19-9-8-17(14-18(19)21(23,24)25)20(27)10-12-26(13-11-20)15-16-6-4-2-1-3-5-7-16/h8-9,14,16,27H,1-7,10-13,15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.65E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against opioid receptor kappa 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50132639
PNG
(1-(4-Isopropyl-cyclohexyl)-4-(3-trifluoromethyl-ph...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H30F3NO/c1-15(2)16-6-8-19(9-7-16)25-12-10-20(26,11-13-25)17-4-3-5-18(14-17)21(22,23)24/h3-5,14-16,19,26H,6-13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.15E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against opioid receptor kappa 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50132652
PNG
(1-Cyclooctylmethyl-4-(3-trifluoromethyl-phenyl)-pi...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H30F3NO/c22-21(23,24)19-10-6-9-18(15-19)20(26)11-13-25(14-12-20)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17,26H,1-5,7-8,11-14,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.24E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against opioid receptor kappa 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50132639
PNG
(1-(4-Isopropyl-cyclohexyl)-4-(3-trifluoromethyl-ph...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H30F3NO/c1-15(2)16-6-8-19(9-7-16)25-12-10-20(26,11-13-25)17-4-3-5-18(14-17)21(22,23)24/h3-5,14-16,19,26H,6-13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.67E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against Opioid receptor delta 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50132642
PNG
(1-(4-Propyl-cyclohexyl)-4-(3-trifluoromethyl-pheny...)
Show SMILES CCCC1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(12.47,-8.29,;11.67,-6.98,;12.42,-5.62,;11.63,-4.3,;12.37,-2.95,;11.58,-1.63,;10.06,-1.66,;9.31,-3.02,;10.09,-4.32,;9.26,-.35,;10.01,1,;9.2,2.33,;7.66,2.29,;7.5,3.83,;6.91,.95,;7.72,-.38,;6.17,1.86,;5.79,.37,;4.32,-.05,;3.23,1.02,;3.6,2.5,;5.09,2.92,;2.48,3.56,;1.38,4.62,;3.55,4.68,;1.43,2.44,)|
Show InChI InChI=1S/C21H30F3NO/c1-2-4-16-7-9-19(10-8-16)25-13-11-20(26,12-14-25)17-5-3-6-18(15-17)21(22,23)24/h3,5-6,15-16,19,26H,2,4,7-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against opioid receptor kappa 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132660
PNG
(1-(4-Trifluoromethyl-benzyl)-4-(3-trifluoromethyl-...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)15-6-4-14(5-7-15)13-27-10-8-18(28,9-11-27)16-2-1-3-17(12-16)20(24,25)26/h1-7,12,28H,8-11,13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.52E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50132643
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-cyclooctyl...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H29ClF3NO/c22-19-9-8-17(14-18(19)21(23,24)25)20(27)10-12-26(13-11-20)15-16-6-4-2-1-3-5-7-16/h8-9,14,16,27H,1-7,10-13,15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.78E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against Opioid receptor delta 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50132647
PNG
(1-(3,3-Diphenyl-propyl)-4-(3-trifluoromethyl-pheny...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3NO/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.39E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against Opioid receptor delta 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50132641
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-indan-2-yl...)
Show SMILES OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3NO/c22-19-6-5-16(13-18(19)21(23,24)25)20(27)7-9-26(10-8-20)17-11-14-3-1-2-4-15(14)12-17/h1-6,13,17,27H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against Opioid receptor delta 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132657
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(5-nitro-f...)
Show SMILES OC1(CCN(Cc2ccc(o2)[N+]([O-])=O)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N2O4/c18-14-3-1-11(9-13(14)17(19,20)21)16(24)5-7-22(8-6-16)10-12-2-4-15(27-12)23(25)26/h1-4,9,24H,5-8,10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132649
PNG
(1-(4-Fluoro-benzyl)-4-phenyl-piperidine-4-carbonit...)
Show SMILES Fc1ccc(CN2CCC(CC2)(C#N)c2ccccc2)cc1
Show InChI InChI=1S/C19H19FN2/c20-18-8-6-16(7-9-18)14-22-12-10-19(15-21,11-13-22)17-4-2-1-3-5-17/h1-9H,10-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132653
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF3N2O/c21-18-6-5-16(11-17(18)20(22,23)24)19(27)7-9-26(10-8-19)13-15-3-1-14(12-25)2-4-15/h1-6,11,27H,7-10,13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50132645
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-isoprop...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F |(16.53,-7.57,;14.99,-7.59,;14.24,-8.94,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;10.27,-2.36,;9.48,-1.03,;10.23,.32,;10.06,1.84,;11.77,.35,;12.56,-.98,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;4.32,-1.38,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H29ClF3NO/c1-14(2)15-3-6-17(7-4-15)26-11-9-20(27,10-12-26)16-5-8-19(22)18(13-16)21(23,24)25/h5,8,13-15,17,27H,3-4,6-7,9-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against Opioid receptor delta 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132661
PNG
(1-(2-Methyl-naphthalen-1-ylmethyl)-4-phenyl-piperi...)
Show SMILES Cc1ccc2ccccc2c1CN1CCC(CC1)(C#N)c1ccccc1
Show InChI InChI=1S/C24H24N2/c1-19-11-12-20-7-5-6-10-22(20)23(19)17-26-15-13-24(18-25,14-16-26)21-8-3-2-4-9-21/h2-12H,13-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50132650
PNG
(1-(Decahydro-naphthalen-2-yl)-4-(3-trifluoromethyl...)
Show SMILES OC1(CCN(CC1)C1CCC2CCCCC2C1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H30F3NO/c23-22(24,25)19-7-3-6-18(15-19)21(27)10-12-26(13-11-21)20-9-8-16-4-1-2-5-17(16)14-20/h3,6-7,15-17,20,27H,1-2,4-5,8-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against Opioid receptor delta 1


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132640
PNG
(2-Benzyloxy-1-[4-(4-bromo-phenyl)-4-hydroxy-piperi...)
Show SMILES OC1(CCN(CC1)C(=O)COCc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H22BrNO3/c21-18-8-6-17(7-9-18)20(24)10-12-22(13-11-20)19(23)15-25-14-16-4-2-1-3-5-16/h1-9,24H,10-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%