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PubMed code 25147602

Compile data set for download or QSAR
Found 43 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))
BDBM50101088
PNG
(CHEMBL3326220)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)CCC1CCCC1)c1ccccc1 |r,wU:4.2,wD:7.9,(15.72,-29.86,;12.69,-28.26,;11.36,-27.5,;11.36,-25.96,;10.03,-28.27,;9.26,-29.6,;7.72,-29.6,;6.95,-28.28,;7.71,-26.95,;9.25,-26.94,;5.41,-28.28,;4.63,-26.95,;5.4,-25.61,;3.1,-26.95,;2.33,-25.61,;.79,-25.61,;-.11,-24.36,;-1.58,-24.83,;-1.58,-26.37,;-.12,-26.85,;10.82,-29.59,;10.08,-30.93,;10.87,-32.25,;12.41,-32.22,;13.16,-30.86,;12.36,-29.55,)|
Show InChI InChI=1/C22H34N2O.ClH/c1-24(2)22(19-10-4-3-5-11-19)16-14-20(15-17-22)23-21(25)13-12-18-8-6-7-9-18;/h3-5,10-11,18,20H,6-9,12-17H2,1-2H3,(H,23,25);1H/t20-,22-;
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0.300n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100983
PNG
(CHEMBL3326224)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)|
Show InChI InChI=1/C24H28N2O.ClH/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22;/h3-11,25H,12-17H2,1-2H3;1H/t23-,24-;
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0.300n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101091
PNG
(CHEMBL3326223)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:5.2,wD:8.9,(50.15,-23.7,;44.1,-26.45,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;31.66,-22.71,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)|
Show InChI InChI=1/C24H30FN3.2ClH/c1-28(2)24(19-6-4-3-5-7-19)13-10-21(11-14-24)26-15-12-18-17-27-23-9-8-20(25)16-22(18)23;;/h3-9,16-17,21,26-27H,10-15H2,1-2H3;2*1H/t21-,24-;;
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0.400n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101088
PNG
(CHEMBL3326220)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)CCC1CCCC1)c1ccccc1 |r,wU:4.2,wD:7.9,(15.72,-29.86,;12.69,-28.26,;11.36,-27.5,;11.36,-25.96,;10.03,-28.27,;9.26,-29.6,;7.72,-29.6,;6.95,-28.28,;7.71,-26.95,;9.25,-26.94,;5.41,-28.28,;4.63,-26.95,;5.4,-25.61,;3.1,-26.95,;2.33,-25.61,;.79,-25.61,;-.11,-24.36,;-1.58,-24.83,;-1.58,-26.37,;-.12,-26.85,;10.82,-29.59,;10.08,-30.93,;10.87,-32.25,;12.41,-32.22,;13.16,-30.86,;12.36,-29.55,)|
Show InChI InChI=1/C22H34N2O.ClH/c1-24(2)22(19-10-4-3-5-11-19)16-14-20(15-17-22)23-21(25)13-12-18-8-6-7-9-18;/h3-5,10-11,18,20H,6-9,12-17H2,1-2H3,(H,23,25);1H/t20-,22-;
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0.5n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100991
PNG
(CHEMBL3325879)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.29,-18.75,;12.97,-20.62,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.43,;8.02,-18.44,;7.26,-19.78,;5.72,-19.79,;4.95,-18.45,;3.41,-18.46,;2.64,-19.79,;3.42,-21.13,;4.96,-21.12,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.04,;18.07,-19.68,;17.27,-18.37,)|
Show InChI InChI=1/C23H32N2.2ClH/c1-25(2)23(21-13-7-4-8-14-21)17-15-22(16-18-23)24-19-9-12-20-10-5-3-6-11-20;;/h3-8,10-11,13-14,22,24H,9,12,15-19H2,1-2H3;2*1H/t22-,23-;;
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0.5n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100983
PNG
(CHEMBL3326224)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)|
Show InChI InChI=1/C24H28N2O.ClH/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22;/h3-11,25H,12-17H2,1-2H3;1H/t23-,24-;
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0.600n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100993
PNG
(CHEMBL3325881)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(11.38,-21.45,;17.64,-17.11,;16.3,-16.34,;16.3,-14.8,;14.96,-17.12,;14.2,-18.45,;12.65,-18.46,;11.88,-17.13,;12.65,-15.79,;14.19,-15.79,;10.33,-17.13,;9.57,-18.46,;10.36,-19.8,;8.03,-18.48,;7.27,-19.82,;5.73,-19.82,;4.97,-21.15,;3.43,-21.17,;2.65,-19.84,;1.11,-19.85,;.35,-21.19,;1.14,-22.52,;2.67,-22.5,;15.76,-18.44,;15.02,-19.79,;15.81,-21.11,;17.36,-21.08,;18.1,-19.72,;17.3,-18.4,)|
Show InChI InChI=1/C24H33N3O.ClH/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20;/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28);1H/t22-,24-;
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0.700n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101090
PNG
(CHEMBL3326222)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:5.2,wD:8.9,(49.66,-24.64,;42.84,-26.18,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)|
Show InChI InChI=1/C24H31N3.2ClH/c1-27(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)25-17-14-19-18-26-23-11-7-6-10-22(19)23;;/h3-11,18,21,25-26H,12-17H2,1-2H3;2*1H/t21-,24-;;
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1.10n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100993
PNG
(CHEMBL3325881)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(11.38,-21.45,;17.64,-17.11,;16.3,-16.34,;16.3,-14.8,;14.96,-17.12,;14.2,-18.45,;12.65,-18.46,;11.88,-17.13,;12.65,-15.79,;14.19,-15.79,;10.33,-17.13,;9.57,-18.46,;10.36,-19.8,;8.03,-18.48,;7.27,-19.82,;5.73,-19.82,;4.97,-21.15,;3.43,-21.17,;2.65,-19.84,;1.11,-19.85,;.35,-21.19,;1.14,-22.52,;2.67,-22.5,;15.76,-18.44,;15.02,-19.79,;15.81,-21.11,;17.36,-21.08,;18.1,-19.72,;17.3,-18.4,)|
Show InChI InChI=1/C24H33N3O.ClH/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20;/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28);1H/t22-,24-;
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1.90n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100986
PNG
(CHEMBL3325747)
Show SMILES Cl.CN(C)[C@@]1(CC[C@@](O)(CCc2ccccc2)CC1)c1ccccc1 |r,wU:4.2,wD:7.7,(40.86,-10.61,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.12,-7.48,;33.58,-7.48,;32.82,-8.82,;31.48,-8.05,;31.49,-9.59,;31.5,-11.12,;30.17,-11.91,;28.83,-11.15,;27.51,-11.93,;27.52,-13.47,;28.87,-14.23,;30.19,-13.45,;33.59,-10.14,;35.13,-10.14,;36.69,-10.13,;35.95,-11.47,;36.75,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Show InChI InChI=1/C22H29NO.ClH/c1-23(2)22(20-11-7-4-8-12-20)17-15-21(24,16-18-22)14-13-19-9-5-3-6-10-19;/h3-12,24H,13-18H2,1-2H3;1H/t21-,22+;
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1.90n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100982
PNG
(CHEMBL3326225)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)OCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:3.2,wD:6.9,(31.51,-13.84,;30.17,-13.07,;30.17,-11.53,;28.84,-13.84,;28.07,-15.17,;26.53,-15.18,;25.76,-13.85,;26.53,-12.52,;28.07,-12.51,;24.22,-13.85,;23.42,-15.17,;21.88,-15.14,;21.08,-16.46,;21.68,-17.88,;20.51,-18.89,;19.2,-18.09,;17.73,-18.54,;16.61,-17.49,;16.95,-15.98,;18.43,-15.54,;19.55,-16.59,;29.64,-15.16,;28.89,-16.51,;29.69,-17.83,;31.23,-17.8,;31.97,-16.44,;31.17,-15.12,)|
Show InChI InChI=1/C24H30N2O/c1-26(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)27-17-14-19-18-25-23-11-7-6-10-22(19)23/h3-11,18,21,25H,12-17H2,1-2H3/t21-,24-
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2n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells at 1 uM after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100992
PNG
(CHEMBL3325880)
Show SMILES Cl.CN(C)C1(CCC(CC1)NC(=O)Cc1ccccc1)c1ccccc1 |(14.24,-12.21,;18.31,-7.93,;16.97,-7.16,;16.97,-5.62,;15.64,-7.94,;14.87,-6.61,;13.32,-6.61,;12.56,-7.94,;13.33,-9.27,;14.87,-9.27,;11.02,-7.95,;10.26,-9.28,;11.04,-10.61,;8.72,-9.29,;7.96,-10.63,;6.42,-10.63,;5.66,-11.97,;6.44,-13.3,;7.98,-13.29,;8.74,-11.95,;16.44,-9.26,;15.69,-10.6,;16.49,-11.92,;18.03,-11.89,;18.77,-10.53,;17.97,-9.22,)|
Show InChI InChI=1S/C22H28N2O.ClH/c1-24(2)22(19-11-7-4-8-12-19)15-13-20(14-16-22)23-21(25)17-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3,(H,23,25);1H
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2.10n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50100983
PNG
(CHEMBL3326224)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)|
Show InChI InChI=1/C24H28N2O.ClH/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22;/h3-11,25H,12-17H2,1-2H3;1H/t23-,24-;
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2.30n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Binding affinity to human kappa opioid receptor


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100989
PNG
(CHEMBL3325751)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(41.41,-9.74,;32.33,-12.26,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.13,-10.14,;33.59,-10.14,;32.82,-8.82,;33.58,-7.48,;35.12,-7.48,;31.27,-8.79,;30.49,-10.11,;28.95,-10.09,;28.2,-8.74,;26.66,-8.72,;25.87,-10.05,;26.63,-11.4,;28.17,-11.41,;36.69,-10.13,;35.95,-11.47,;36.74,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Show InChI InChI=1/C21H28N2.2ClH/c1-23(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)22-17-18-9-5-3-6-10-18;;/h3-12,20,22H,13-17H2,1-2H3;2*1H/t20-,21-;;
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3n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100986
PNG
(CHEMBL3325747)
Show SMILES Cl.CN(C)[C@@]1(CC[C@@](O)(CCc2ccccc2)CC1)c1ccccc1 |r,wU:4.2,wD:7.7,(40.86,-10.61,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.12,-7.48,;33.58,-7.48,;32.82,-8.82,;31.48,-8.05,;31.49,-9.59,;31.5,-11.12,;30.17,-11.91,;28.83,-11.15,;27.51,-11.93,;27.52,-13.47,;28.87,-14.23,;30.19,-13.45,;33.59,-10.14,;35.13,-10.14,;36.69,-10.13,;35.95,-11.47,;36.75,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Show InChI InChI=1/C22H29NO.ClH/c1-23(2)22(20-11-7-4-8-12-20)17-15-21(24,16-18-22)14-13-19-9-5-3-6-10-19;/h3-12,24H,13-18H2,1-2H3;1H/t21-,22+;
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4.40n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50100983
PNG
(CHEMBL3326224)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)|
Show InChI InChI=1/C24H28N2O.ClH/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22;/h3-11,25H,12-17H2,1-2H3;1H/t23-,24-;
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4.90n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Binding affinity to human delta opioid receptor


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100992
PNG
(CHEMBL3325880)
Show SMILES Cl.CN(C)C1(CCC(CC1)NC(=O)Cc1ccccc1)c1ccccc1 |(14.24,-12.21,;18.31,-7.93,;16.97,-7.16,;16.97,-5.62,;15.64,-7.94,;14.87,-6.61,;13.32,-6.61,;12.56,-7.94,;13.33,-9.27,;14.87,-9.27,;11.02,-7.95,;10.26,-9.28,;11.04,-10.61,;8.72,-9.29,;7.96,-10.63,;6.42,-10.63,;5.66,-11.97,;6.44,-13.3,;7.98,-13.29,;8.74,-11.95,;16.44,-9.26,;15.69,-10.6,;16.49,-11.92,;18.03,-11.89,;18.77,-10.53,;17.97,-9.22,)|
Show InChI InChI=1S/C22H28N2O.ClH/c1-24(2)22(19-11-7-4-8-12-19)15-13-20(14-16-22)23-21(25)17-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3,(H,23,25);1H
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5.40n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101089
PNG
(CHEMBL3326221)
Show InChI InChI=1S/C23H29N3/c1-26(2)23(19-8-4-3-5-9-19)14-12-20(13-15-23)24-16-18-17-25-22-11-7-6-10-21(18)22/h3-11,17,20,24-25H,12-16H2,1-2H3
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5.40n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101089
PNG
(CHEMBL3326221)
Show InChI InChI=1S/C23H29N3/c1-26(2)23(19-8-4-3-5-9-19)14-12-20(13-15-23)24-16-18-17-25-22-11-7-6-10-21(18)22/h3-11,17,20,24-25H,12-16H2,1-2H3
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6.40n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100990
PNG
(CHEMBL3325878)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.12,-18.98,;13.08,-21.67,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.44,;8.02,-18.45,;7.26,-19.79,;5.72,-19.79,;4.96,-21.13,;5.73,-22.46,;7.28,-22.45,;8.04,-21.11,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.05,;18.07,-19.69,;17.27,-18.37,)|
Show InChI InChI=1/C22H30N2.2ClH/c1-24(2)22(20-11-7-4-8-12-20)16-13-21(14-17-22)23-18-15-19-9-5-3-6-10-19;;/h3-12,21,23H,13-18H2,1-2H3;2*1H/t21-,22-;;
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7.40n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101091
PNG
(CHEMBL3326223)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:5.2,wD:8.9,(50.15,-23.7,;44.1,-26.45,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;31.66,-22.71,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)|
Show InChI InChI=1/C24H30FN3.2ClH/c1-28(2)24(19-6-4-3-5-7-19)13-10-21(11-14-24)26-15-12-18-17-27-23-9-8-20(25)16-22(18)23;;/h3-9,16-17,21,26-27H,10-15H2,1-2H3;2*1H/t21-,24-;;
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9n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101090
PNG
(CHEMBL3326222)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:5.2,wD:8.9,(49.66,-24.64,;42.84,-26.18,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)|
Show InChI InChI=1/C24H31N3.2ClH/c1-27(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)25-17-14-19-18-26-23-11-7-6-10-22(19)23;;/h3-11,18,21,25-26H,12-17H2,1-2H3;2*1H/t21-,24-;;
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9.5n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100989
PNG
(CHEMBL3325751)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(41.41,-9.74,;32.33,-12.26,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.13,-10.14,;33.59,-10.14,;32.82,-8.82,;33.58,-7.48,;35.12,-7.48,;31.27,-8.79,;30.49,-10.11,;28.95,-10.09,;28.2,-8.74,;26.66,-8.72,;25.87,-10.05,;26.63,-11.4,;28.17,-11.41,;36.69,-10.13,;35.95,-11.47,;36.74,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Show InChI InChI=1/C21H28N2.2ClH/c1-23(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)22-17-18-9-5-3-6-10-18;;/h3-12,20,22H,13-17H2,1-2H3;2*1H/t20-,21-;;
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10n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100990
PNG
(CHEMBL3325878)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.12,-18.98,;13.08,-21.67,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.44,;8.02,-18.45,;7.26,-19.79,;5.72,-19.79,;4.96,-21.13,;5.73,-22.46,;7.28,-22.45,;8.04,-21.11,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.05,;18.07,-19.69,;17.27,-18.37,)|
Show InChI InChI=1/C22H30N2.2ClH/c1-24(2)22(20-11-7-4-8-12-20)16-13-21(14-17-22)23-18-15-19-9-5-3-6-10-19;;/h3-12,21,23H,13-18H2,1-2H3;2*1H/t21-,22-;;
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11n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100987
PNG
(CHEMBL3325748)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)OCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(41.68,-9.46,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.13,-10.14,;33.59,-10.14,;32.82,-8.82,;33.58,-7.48,;35.12,-7.48,;31.27,-8.79,;30.49,-10.11,;28.95,-10.09,;28.2,-8.74,;26.66,-8.72,;25.87,-10.05,;26.63,-11.4,;28.17,-11.41,;36.69,-10.13,;35.95,-11.47,;36.74,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Show InChI InChI=1/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)23-17-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3;1H/t20-,21-;
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12n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100982
PNG
(CHEMBL3326225)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)OCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:3.2,wD:6.9,(31.51,-13.84,;30.17,-13.07,;30.17,-11.53,;28.84,-13.84,;28.07,-15.17,;26.53,-15.18,;25.76,-13.85,;26.53,-12.52,;28.07,-12.51,;24.22,-13.85,;23.42,-15.17,;21.88,-15.14,;21.08,-16.46,;21.68,-17.88,;20.51,-18.89,;19.2,-18.09,;17.73,-18.54,;16.61,-17.49,;16.95,-15.98,;18.43,-15.54,;19.55,-16.59,;29.64,-15.16,;28.89,-16.51,;29.69,-17.83,;31.23,-17.8,;31.97,-16.44,;31.17,-15.12,)|
Show InChI InChI=1/C24H30N2O/c1-26(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)27-17-14-19-18-25-23-11-7-6-10-22(19)23/h3-11,18,21,25H,12-17H2,1-2H3/t21-,24-
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20n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100991
PNG
(CHEMBL3325879)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.29,-18.75,;12.97,-20.62,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.43,;8.02,-18.44,;7.26,-19.78,;5.72,-19.79,;4.95,-18.45,;3.41,-18.46,;2.64,-19.79,;3.42,-21.13,;4.96,-21.12,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.04,;18.07,-19.68,;17.27,-18.37,)|
Show InChI InChI=1/C23H32N2.2ClH/c1-25(2)23(21-13-7-4-8-14-21)17-15-22(16-18-23)24-19-9-12-20-10-5-3-6-11-20;;/h3-8,10-11,13-14,22,24H,9,12,15-19H2,1-2H3;2*1H/t22-,23-;;
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22n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100984
PNG
(CHEMBL3325745)
Show SMILES CN(C)[C@@]1(CC[C@](O)(CC1)c1ccccc1)c1ccccc1 |r,wU:3.2,wD:6.10,(17.61,-7.23,;16.27,-6.46,;16.27,-4.92,;14.94,-7.24,;14.17,-5.91,;12.62,-5.91,;11.86,-7.24,;10.52,-6.48,;12.63,-8.57,;14.17,-8.57,;10.53,-8.02,;9.2,-7.25,;7.87,-8.02,;7.87,-9.56,;9.22,-10.33,;10.54,-9.55,;15.74,-8.56,;14.99,-9.9,;15.79,-11.22,;17.33,-11.19,;18.07,-9.83,;17.27,-8.52,)|
Show InChI InChI=1/C20H25NO/c1-21(2)19(17-9-5-3-6-10-17)13-15-20(22,16-14-19)18-11-7-4-8-12-18/h3-12,22H,13-16H2,1-2H3/t19-,20+
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45n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100987
PNG
(CHEMBL3325748)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)OCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(41.68,-9.46,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.13,-10.14,;33.59,-10.14,;32.82,-8.82,;33.58,-7.48,;35.12,-7.48,;31.27,-8.79,;30.49,-10.11,;28.95,-10.09,;28.2,-8.74,;26.66,-8.72,;25.87,-10.05,;26.63,-11.4,;28.17,-11.41,;36.69,-10.13,;35.95,-11.47,;36.74,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Show InChI InChI=1/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)23-17-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3;1H/t20-,21-;
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78n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100995
PNG
(CHEMBL3325883)
Show SMILES Cl.CN(C)[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1ccccc1 |r,wU:7.9,4.2,(16.33,-31.4,;12.7,-28.27,;11.36,-27.51,;11.36,-25.97,;10.03,-28.28,;9.26,-26.95,;7.72,-26.95,;6.95,-28.29,;7.72,-29.61,;9.26,-29.61,;5.41,-28.29,;4.64,-26.96,;3.1,-26.95,;2.32,-28.29,;3.09,-29.63,;4.64,-29.63,;10.83,-29.6,;10.08,-30.94,;10.88,-32.26,;12.42,-32.23,;13.16,-30.87,;12.36,-29.56,)|
Show InChI InChI=1/C19H30N2.ClH/c1-20(2)19(17-9-5-3-6-10-17)13-11-18(12-14-19)21-15-7-4-8-16-21;/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3;1H/t18-,19+;
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110n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100994
PNG
(CHEMBL3325882)
Show SMILES CN(C)[C@]1(CC[C@H](N)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(17.62,-17.1,;16.29,-16.33,;16.28,-14.79,;14.95,-17.11,;14.18,-18.44,;12.64,-18.44,;11.87,-17.11,;10.33,-17.11,;12.63,-15.78,;14.18,-15.78,;15.75,-18.43,;15,-19.77,;15.8,-21.09,;17.34,-21.06,;18.09,-19.7,;17.29,-18.39,)|
Show InChI InChI=1/C14H22N2/c1-16(2)14(10-8-13(15)9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3/t13-,14-
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120n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100984
PNG
(CHEMBL3325745)
Show SMILES CN(C)[C@@]1(CC[C@](O)(CC1)c1ccccc1)c1ccccc1 |r,wU:3.2,wD:6.10,(17.61,-7.23,;16.27,-6.46,;16.27,-4.92,;14.94,-7.24,;14.17,-5.91,;12.62,-5.91,;11.86,-7.24,;10.52,-6.48,;12.63,-8.57,;14.17,-8.57,;10.53,-8.02,;9.2,-7.25,;7.87,-8.02,;7.87,-9.56,;9.22,-10.33,;10.54,-9.55,;15.74,-8.56,;14.99,-9.9,;15.79,-11.22,;17.33,-11.19,;18.07,-9.83,;17.27,-8.52,)|
Show InChI InChI=1/C20H25NO/c1-21(2)19(17-9-5-3-6-10-17)13-15-20(22,16-14-19)18-11-7-4-8-12-18/h3-12,22H,13-16H2,1-2H3/t19-,20+
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205n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100988
PNG
(CHEMBL3325749)
Show SMILES Cl.CN(C)[C@@]1(CC[C@@H](CC1)OCc1ccccc1)c1ccccc1 |r,wU:7.9,4.2,(41.96,-10.01,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.12,-7.48,;33.58,-7.48,;32.82,-8.82,;33.59,-10.14,;35.13,-10.14,;31.27,-8.79,;30.49,-10.11,;28.95,-10.09,;28.2,-8.74,;26.66,-8.72,;25.87,-10.05,;26.63,-11.4,;28.17,-11.41,;36.69,-10.13,;35.95,-11.47,;36.74,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Show InChI InChI=1/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)23-17-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3;1H/t20-,21+;
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290n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101092
PNG
(CHEMBL3326227)
Show SMILES Cl.CN(C)[C@@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:7.9,4.2,(21.99,-6.71,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-6.6,;13.32,-6.61,;12.55,-7.94,;13.32,-9.27,;14.86,-9.26,;11.79,-9.28,;10.25,-9.27,;9.48,-7.94,;10.25,-6.61,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.88,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)|
Show InChI InChI=1/C24H28N2O.ClH/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22;/h3-11,25H,12-17H2,1-2H3;1H/t23-,24+;
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310n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101084
PNG
(CHEMBL3326219)
Show SMILES Cl.CN(C)[C@@]1(CC[C@@H](CC1)N1CCOCC1)c1ccccc1 |r,wU:7.9,4.2,(16.38,-30.86,;12.7,-28.29,;11.37,-27.52,;11.36,-25.98,;10.03,-28.29,;9.26,-26.96,;7.72,-26.97,;6.96,-28.3,;7.73,-29.63,;9.27,-29.63,;5.41,-28.3,;4.64,-26.97,;3.1,-26.97,;2.32,-28.3,;3.09,-29.64,;4.64,-29.65,;10.83,-29.61,;10.09,-30.96,;10.88,-32.28,;12.43,-32.25,;13.17,-30.89,;12.37,-29.57,)|
Show InChI InChI=1/C18H28N2O.ClH/c1-19(2)18(16-6-4-3-5-7-16)10-8-17(9-11-18)20-12-14-21-15-13-20;/h3-7,17H,8-15H2,1-2H3;1H/t17-,18+;
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810n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100988
PNG
(CHEMBL3325749)
Show SMILES Cl.CN(C)[C@@]1(CC[C@@H](CC1)OCc1ccccc1)c1ccccc1 |r,wU:7.9,4.2,(41.96,-10.01,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.12,-7.48,;33.58,-7.48,;32.82,-8.82,;33.59,-10.14,;35.13,-10.14,;31.27,-8.79,;30.49,-10.11,;28.95,-10.09,;28.2,-8.74,;26.66,-8.72,;25.87,-10.05,;26.63,-11.4,;28.17,-11.41,;36.69,-10.13,;35.95,-11.47,;36.74,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Show InChI InChI=1/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)23-17-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3;1H/t20-,21+;
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830n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100985
PNG
(CHEMBL3325746)
Show SMILES Cl.CN(C)[C@@]1(CC[C@@](O)(Cc2ccccc2)CC1)c1ccccc1 |r,wU:4.2,wD:7.7,(42.29,-10.61,;38.63,-8.82,;37.29,-8.05,;37.29,-6.5,;35.96,-8.82,;35.18,-7.49,;33.64,-7.5,;32.87,-8.83,;31.53,-8.06,;31.54,-9.61,;31.55,-11.14,;30.23,-11.91,;30.24,-13.45,;31.58,-14.21,;32.91,-13.42,;32.89,-11.89,;33.64,-10.16,;35.19,-10.16,;36.75,-10.15,;36.01,-11.49,;36.81,-12.81,;38.35,-12.78,;39.09,-11.42,;38.29,-10.11,)|
Show InChI InChI=1/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(23,14-16-21)17-18-9-5-3-6-10-18;/h3-12,23H,13-17H2,1-2H3;1H/t20-,21+;
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1.60E+3n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101090
PNG
(CHEMBL3326222)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:5.2,wD:8.9,(49.66,-24.64,;42.84,-26.18,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)|
Show InChI InChI=1/C24H31N3.2ClH/c1-27(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)25-17-14-19-18-26-23-11-7-6-10-22(19)23;;/h3-11,18,21,25-26H,12-17H2,1-2H3;2*1H/t21-,24-;;
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n/an/an/an/a 2.00E+4n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]-GTPgammaS binding by scintillation proximity assay


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101090
PNG
(CHEMBL3326222)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:5.2,wD:8.9,(49.66,-24.64,;42.84,-26.18,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)|
Show InChI InChI=1/C24H31N3.2ClH/c1-27(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)25-17-14-19-18-26-23-11-7-6-10-22(19)23;;/h3-11,18,21,25-26H,12-17H2,1-2H3;2*1H/t21-,24-;;
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n/an/an/an/a 5.10E+4n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO-K1 cells assessed as stimulation of [35S]-GTPgammaS binding by scintillation proximity ...


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100993
PNG
(CHEMBL3325881)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(11.38,-21.45,;17.64,-17.11,;16.3,-16.34,;16.3,-14.8,;14.96,-17.12,;14.2,-18.45,;12.65,-18.46,;11.88,-17.13,;12.65,-15.79,;14.19,-15.79,;10.33,-17.13,;9.57,-18.46,;10.36,-19.8,;8.03,-18.48,;7.27,-19.82,;5.73,-19.82,;4.97,-21.15,;3.43,-21.17,;2.65,-19.84,;1.11,-19.85,;.35,-21.19,;1.14,-22.52,;2.67,-22.5,;15.76,-18.44,;15.02,-19.79,;15.81,-21.11,;17.36,-21.08,;18.1,-19.72,;17.3,-18.4,)|
Show InChI InChI=1/C24H33N3O.ClH/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20;/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28);1H/t22-,24-;
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n/an/an/an/a 4.30E+4n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]-GTPgammaS binding by scintillation proximity assay


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100993
PNG
(CHEMBL3325881)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(11.38,-21.45,;17.64,-17.11,;16.3,-16.34,;16.3,-14.8,;14.96,-17.12,;14.2,-18.45,;12.65,-18.46,;11.88,-17.13,;12.65,-15.79,;14.19,-15.79,;10.33,-17.13,;9.57,-18.46,;10.36,-19.8,;8.03,-18.48,;7.27,-19.82,;5.73,-19.82,;4.97,-21.15,;3.43,-21.17,;2.65,-19.84,;1.11,-19.85,;.35,-21.19,;1.14,-22.52,;2.67,-22.5,;15.76,-18.44,;15.02,-19.79,;15.81,-21.11,;17.36,-21.08,;18.1,-19.72,;17.3,-18.4,)|
Show InChI InChI=1/C24H33N3O.ClH/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20;/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28);1H/t22-,24-;
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n/an/an/an/a 1.20E+4n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO-K1 cells assessed as stimulation of [35S]-GTPgammaS binding by scintillation proximity ...


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101094
PNG
(CHEMBL3326226)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:16.14,wD:19.21,(27.27,-8.82,;25.95,-8.06,;24.63,-8.83,;25.94,-6.53,;24.62,-5.77,;23.09,-5.77,;24.62,-7.3,;23.29,-8.06,;21.98,-7.3,;23.29,-9.59,;25.38,-4.45,;26.91,-4.45,;24.61,-3.13,;18.32,-7.93,;16.98,-7.17,;16.98,-5.62,;15.65,-7.94,;14.88,-9.27,;13.34,-9.28,;12.57,-7.95,;13.33,-6.61,;14.87,-6.61,;11.8,-9.28,;10.26,-9.28,;9.48,-7.95,;10.26,-6.61,;11.8,-6.61,;12.28,-5.15,;11.04,-4.24,;10.89,-2.71,;9.48,-2.07,;8.22,-2.98,;8.38,-4.52,;9.78,-5.15,;16.44,-9.26,;15.7,-10.61,;16.49,-11.93,;18.04,-11.89,;18.78,-10.53,;17.98,-9.22,)|
Show InChI InChI=1/C24H28N2O.C6H8O7/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,25H,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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n/an/an/an/a 1.10E+4n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]-GTPgammaS binding by scintillation proximity assay


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101094
PNG
(CHEMBL3326226)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:16.14,wD:19.21,(27.27,-8.82,;25.95,-8.06,;24.63,-8.83,;25.94,-6.53,;24.62,-5.77,;23.09,-5.77,;24.62,-7.3,;23.29,-8.06,;21.98,-7.3,;23.29,-9.59,;25.38,-4.45,;26.91,-4.45,;24.61,-3.13,;18.32,-7.93,;16.98,-7.17,;16.98,-5.62,;15.65,-7.94,;14.88,-9.27,;13.34,-9.28,;12.57,-7.95,;13.33,-6.61,;14.87,-6.61,;11.8,-9.28,;10.26,-9.28,;9.48,-7.95,;10.26,-6.61,;11.8,-6.61,;12.28,-5.15,;11.04,-4.24,;10.89,-2.71,;9.48,-2.07,;8.22,-2.98,;8.38,-4.52,;9.78,-5.15,;16.44,-9.26,;15.7,-10.61,;16.49,-11.93,;18.04,-11.89,;18.78,-10.53,;17.98,-9.22,)|
Show InChI InChI=1/C24H28N2O.C6H8O7/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,25H,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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n/an/an/an/a 1.00E+3n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO-K1 cells assessed as stimulation of [35S]-GTPgammaS binding by scintillation proximity ...


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%