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PubMed code 25147603

Compile data set for download or QSAR
Found 39 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
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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0.100n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101099
PNG
(CHEMBL3326228)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(19.24,-9.37,;10.32,-12.36,;8.84,-12.77,;7.74,-11.68,;8.44,-14.27,;7.67,-15.59,;6.14,-15.59,;5.38,-14.26,;6.14,-12.93,;7.68,-12.94,;4.47,-15.52,;2.93,-15.35,;2.3,-13.94,;3.21,-12.69,;4.75,-12.85,;5.38,-11.44,;4.23,-10.41,;4.23,-8.85,;2.89,-8.09,;1.56,-8.86,;1.56,-10.41,;2.89,-11.18,;9.98,-14.28,;10.74,-15.62,;12.28,-15.63,;13.06,-14.29,;12.29,-12.95,;10.75,-12.95,)|
Show InChI InChI=1/C24H29N3.ClH/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22;/h3-11,25-26H,12-17H2,1-2H3;1H/t23-,24-;
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0.190n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101306
PNG
(CHEMBL3326229)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)N(C)CCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(35,-11.75,;25.44,-13.91,;23.96,-14.32,;22.86,-13.23,;23.56,-15.82,;22.79,-17.14,;21.26,-17.14,;20.5,-15.8,;21.26,-14.48,;22.8,-14.49,;19.59,-17.06,;20.22,-18.47,;18.05,-16.9,;17.42,-15.49,;18.33,-14.24,;19.87,-14.4,;20.5,-12.99,;19.35,-11.95,;19.35,-10.4,;18.01,-9.64,;16.68,-10.41,;16.68,-11.95,;18.01,-12.72,;25.1,-15.82,;25.86,-17.16,;27.4,-17.17,;28.18,-15.84,;27.4,-14.5,;25.87,-14.5,)|
Show InChI InChI=1/C25H31N3.ClH/c1-27(2)24(19-9-5-4-6-10-19)14-16-25(17-15-24)23-21(13-18-28(25)3)20-11-7-8-12-22(20)26-23;/h4-12,26H,13-18H2,1-3H3;1H/t24-,25-;
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0.240n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
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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0.260n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101152
PNG
(CHEMBL3326232)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:15.13,wD:18.20,(20.04,-1.08,;21.36,-1.84,;22.69,-1.08,;21.36,-3.37,;20.04,-4.13,;18.72,-3.37,;20.8,-5.45,;22.32,-5.46,;23.08,-6.78,;23.09,-4.13,;19.28,-5.45,;20.04,-6.77,;17.75,-5.44,;8.07,-7.76,;9.17,-8.84,;8.78,-10.34,;8,-11.67,;6.47,-11.66,;5.71,-10.33,;6.47,-9,;8.01,-9.01,;4.8,-11.59,;3.25,-11.43,;2.63,-10.01,;3.53,-8.77,;5.08,-8.93,;5.71,-7.51,;4.56,-6.48,;4.56,-4.92,;3.22,-4.16,;1.88,-4.93,;1.88,-6.48,;3.22,-7.25,;10.31,-10.35,;11.08,-11.69,;12.62,-11.7,;13.4,-10.37,;12.62,-9.02,;11.08,-9.02,)|
Show InChI InChI=1/C23H26N2O.C6H8O7/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,24-25H,11-16H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;
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0.360n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101099
PNG
(CHEMBL3326228)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(19.24,-9.37,;10.32,-12.36,;8.84,-12.77,;7.74,-11.68,;8.44,-14.27,;7.67,-15.59,;6.14,-15.59,;5.38,-14.26,;6.14,-12.93,;7.68,-12.94,;4.47,-15.52,;2.93,-15.35,;2.3,-13.94,;3.21,-12.69,;4.75,-12.85,;5.38,-11.44,;4.23,-10.41,;4.23,-8.85,;2.89,-8.09,;1.56,-8.86,;1.56,-10.41,;2.89,-11.18,;9.98,-14.28,;10.74,-15.62,;12.28,-15.63,;13.06,-14.29,;12.29,-12.95,;10.75,-12.95,)|
Show InChI InChI=1/C24H29N3.ClH/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22;/h3-11,25-26H,12-17H2,1-2H3;1H/t23-,24-;
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0.390n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101096
PNG
(CHEMBL3325961)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(26.19,-30.17,;27.51,-30.93,;28.83,-30.17,;27.51,-32.46,;26.19,-33.22,;24.86,-32.46,;26.94,-34.54,;28.47,-34.55,;29.23,-35.87,;29.24,-33.23,;25.42,-34.54,;26.18,-35.86,;23.89,-34.53,;16.55,-35.59,;17.65,-36.68,;19.13,-36.27,;17.25,-38.18,;16.48,-39.51,;14.95,-39.5,;14.18,-38.17,;14.95,-36.84,;16.49,-36.85,;13.27,-39.43,;11.73,-39.27,;11.1,-37.85,;12.01,-36.6,;13.55,-36.76,;14.18,-35.35,;13.04,-34.31,;13.03,-32.76,;11.69,-31.99,;10.36,-32.76,;9.02,-31.99,;10.36,-34.31,;11.69,-35.08,;18.79,-38.19,;19.55,-39.53,;21.1,-39.54,;21.87,-38.2,;21.1,-36.86,;19.56,-36.86,)|
Show InChI InChI=1/C24H28N2O2.C6H8O7/c1-26(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(27)8-9-21(20)25-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,25,27H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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0.400n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101306
PNG
(CHEMBL3326229)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)N(C)CCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(35,-11.75,;25.44,-13.91,;23.96,-14.32,;22.86,-13.23,;23.56,-15.82,;22.79,-17.14,;21.26,-17.14,;20.5,-15.8,;21.26,-14.48,;22.8,-14.49,;19.59,-17.06,;20.22,-18.47,;18.05,-16.9,;17.42,-15.49,;18.33,-14.24,;19.87,-14.4,;20.5,-12.99,;19.35,-11.95,;19.35,-10.4,;18.01,-9.64,;16.68,-10.41,;16.68,-11.95,;18.01,-12.72,;25.1,-15.82,;25.86,-17.16,;27.4,-17.17,;28.18,-15.84,;27.4,-14.5,;25.87,-14.5,)|
Show InChI InChI=1/C25H31N3.ClH/c1-27(2)24(19-9-5-4-6-10-19)14-16-25(17-15-24)23-21(13-18-28(25)3)20-11-7-8-12-22(20)26-23;/h4-12,26H,13-18H2,1-3H3;1H/t24-,25-;
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0.550n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,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 MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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0.900n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101096
PNG
(CHEMBL3325961)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(26.19,-30.17,;27.51,-30.93,;28.83,-30.17,;27.51,-32.46,;26.19,-33.22,;24.86,-32.46,;26.94,-34.54,;28.47,-34.55,;29.23,-35.87,;29.24,-33.23,;25.42,-34.54,;26.18,-35.86,;23.89,-34.53,;16.55,-35.59,;17.65,-36.68,;19.13,-36.27,;17.25,-38.18,;16.48,-39.51,;14.95,-39.5,;14.18,-38.17,;14.95,-36.84,;16.49,-36.85,;13.27,-39.43,;11.73,-39.27,;11.1,-37.85,;12.01,-36.6,;13.55,-36.76,;14.18,-35.35,;13.04,-34.31,;13.03,-32.76,;11.69,-31.99,;10.36,-32.76,;9.02,-31.99,;10.36,-34.31,;11.69,-35.08,;18.79,-38.19,;19.55,-39.53,;21.1,-39.54,;21.87,-38.2,;21.1,-36.86,;19.56,-36.86,)|
Show InChI InChI=1/C24H28N2O2.C6H8O7/c1-26(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(27)8-9-21(20)25-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,25,27H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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1n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101152
PNG
(CHEMBL3326232)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:15.13,wD:18.20,(20.04,-1.08,;21.36,-1.84,;22.69,-1.08,;21.36,-3.37,;20.04,-4.13,;18.72,-3.37,;20.8,-5.45,;22.32,-5.46,;23.08,-6.78,;23.09,-4.13,;19.28,-5.45,;20.04,-6.77,;17.75,-5.44,;8.07,-7.76,;9.17,-8.84,;8.78,-10.34,;8,-11.67,;6.47,-11.66,;5.71,-10.33,;6.47,-9,;8.01,-9.01,;4.8,-11.59,;3.25,-11.43,;2.63,-10.01,;3.53,-8.77,;5.08,-8.93,;5.71,-7.51,;4.56,-6.48,;4.56,-4.92,;3.22,-4.16,;1.88,-4.93,;1.88,-6.48,;3.22,-7.25,;10.31,-10.35,;11.08,-11.69,;12.62,-11.7,;13.4,-10.37,;12.62,-9.02,;11.08,-9.02,)|
Show InChI InChI=1/C23H26N2O.C6H8O7/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,24-25H,11-16H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;
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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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101100
PNG
(CHEMBL3325962)
Show SMILES Cl.COc1ccc2[nH]c3c(CCO[C@]33CC[C@@](CC3)(N(C)C)c3ccccc3)c2c1 |r,wU:16.19,wD:13.11,(39.43,-34.33,;20.7,-31.14,;20.7,-32.68,;22.04,-33.45,;23.37,-32.68,;24.7,-33.45,;24.71,-35,;25.86,-36.04,;25.22,-37.45,;23.68,-37.28,;22.78,-38.53,;23.4,-39.95,;24.95,-40.11,;25.85,-38.85,;26.62,-40.18,;28.14,-40.18,;28.92,-38.86,;28.16,-37.53,;26.62,-37.52,;29.31,-37.36,;28.22,-36.28,;30.8,-36.95,;30.45,-38.87,;31.22,-40.21,;32.76,-40.22,;33.53,-38.88,;32.76,-37.54,;31.22,-37.54,;23.37,-35.77,;22.04,-35,)|
Show InChI InChI=1/C25H30N2O2.ClH/c1-27(2)24(18-7-5-4-6-8-18)12-14-25(15-13-24)23-20(11-16-29-25)21-17-19(28-3)9-10-22(21)26-23;/h4-10,17,26H,11-16H2,1-3H3;1H/t24-,25-;
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1.10n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101157
PNG
(CHEMBL3326231)
Show SMILES CN(C)[C@]1(CC[C@]2(CCCc3c2[nH]c2ccccc32)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(24.76,-23.84,;23.27,-24.25,;22.17,-23.17,;22.88,-25.75,;22.1,-27.07,;20.58,-27.07,;19.81,-25.74,;18.9,-27,;17.36,-26.84,;16.74,-25.42,;17.64,-24.17,;19.18,-24.34,;19.81,-22.92,;18.67,-21.89,;18.66,-20.34,;17.33,-19.57,;16,-20.34,;15.99,-21.89,;17.33,-22.66,;20.58,-24.41,;22.11,-24.42,;24.41,-25.76,;25.17,-27.1,;26.71,-27.11,;27.49,-25.77,;26.72,-24.43,;25.18,-24.43,)|
Show InChI InChI=1/C25H30N2/c1-27(2)25(19-9-4-3-5-10-19)17-15-24(16-18-25)14-8-12-21-20-11-6-7-13-22(20)26-23(21)24/h3-7,9-11,13,26H,8,12,14-18H2,1-2H3/t24-,25+
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1.30n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101097
PNG
(CHEMBL3325959)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:15.13,wD:18.20,(31.05,-21.3,;32.37,-22.06,;33.7,-21.3,;32.37,-23.59,;31.05,-24.35,;29.73,-23.59,;31.81,-25.67,;33.33,-25.68,;34.09,-27,;34.1,-24.36,;30.29,-25.67,;31.05,-26.99,;28.76,-25.66,;22.12,-24.26,;23.22,-25.34,;22.83,-26.85,;22.05,-28.17,;20.52,-28.17,;19.76,-26.83,;20.52,-25.5,;22.06,-25.51,;18.85,-28.09,;17.31,-27.93,;16.68,-26.52,;17.59,-25.27,;19.13,-25.43,;19.76,-24.02,;18.61,-22.98,;18.61,-21.42,;17.27,-20.66,;15.94,-21.43,;14.6,-20.66,;15.93,-22.98,;17.27,-23.75,;24.36,-26.85,;25.13,-28.2,;26.67,-28.2,;27.45,-26.87,;26.68,-25.52,;25.14,-25.52,)|
Show InChI InChI=1/C23H25FN2O.C6H8O7/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-8,15,25-26H,9-14H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;
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2n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101157
PNG
(CHEMBL3326231)
Show SMILES CN(C)[C@]1(CC[C@]2(CCCc3c2[nH]c2ccccc32)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(24.76,-23.84,;23.27,-24.25,;22.17,-23.17,;22.88,-25.75,;22.1,-27.07,;20.58,-27.07,;19.81,-25.74,;18.9,-27,;17.36,-26.84,;16.74,-25.42,;17.64,-24.17,;19.18,-24.34,;19.81,-22.92,;18.67,-21.89,;18.66,-20.34,;17.33,-19.57,;16,-20.34,;15.99,-21.89,;17.33,-22.66,;20.58,-24.41,;22.11,-24.42,;24.41,-25.76,;25.17,-27.1,;26.71,-27.11,;27.49,-25.77,;26.72,-24.43,;25.18,-24.43,)|
Show InChI InChI=1/C25H30N2/c1-27(2)25(19-9-4-3-5-10-19)17-15-24(16-18-25)14-8-12-21-20-11-6-7-13-22(20)26-23(21)24/h3-7,9-11,13,26H,8,12,14-18H2,1-2H3/t24-,25+
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2n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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2.60n/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: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101101
PNG
(CHEMBL3325960)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(14.07,-29.66,;15.4,-30.42,;16.72,-29.66,;15.4,-31.95,;14.07,-32.71,;12.75,-31.95,;14.83,-34.03,;16.36,-34.04,;17.12,-35.36,;17.12,-32.72,;13.31,-34.03,;14.07,-35.35,;11.78,-34.02,;3.79,-34.96,;4.89,-36.05,;6.38,-35.64,;4.5,-37.55,;3.72,-38.88,;2.19,-38.87,;1.43,-37.54,;2.19,-36.21,;3.73,-36.22,;.52,-38.8,;-1.03,-38.64,;-1.67,-37.22,;-.75,-35.97,;.8,-36.13,;1.43,-34.72,;.28,-33.68,;.27,-32.13,;-1.07,-31.36,;-2.41,-32.14,;-3.74,-31.36,;-2.4,-33.68,;-1.07,-34.45,;6.03,-37.56,;6.8,-38.9,;8.34,-38.91,;9.12,-37.58,;8.34,-36.23,;6.8,-36.23,)|
Show InChI InChI=1/C25H30N2O.C6H8O7/c1-18-9-10-22-21(17-18)20-11-16-28-25(23(20)26-22)14-12-24(13-15-25,27(2)3)19-7-5-4-6-8-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,17,26H,11-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t24-,25-;
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2.70n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101161
PNG
(CHEMBL3326230)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)SCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:16.14,wD:19.21,(18.17,-16.09,;19.49,-16.85,;20.81,-16.09,;19.49,-18.38,;18.17,-19.15,;16.84,-18.38,;18.92,-20.47,;20.45,-20.47,;21.21,-21.8,;21.22,-19.15,;17.4,-20.46,;18.16,-21.79,;15.87,-20.46,;11.7,-23.69,;10.22,-24.1,;9.12,-23.01,;9.82,-25.6,;9.05,-26.92,;7.52,-26.92,;6.75,-25.59,;7.52,-24.26,;9.06,-24.26,;5.84,-26.85,;4.3,-26.69,;3.67,-25.27,;4.58,-24.02,;6.12,-24.18,;6.75,-22.77,;5.61,-21.73,;5.6,-20.17,;4.26,-19.41,;2.93,-20.18,;2.93,-21.73,;4.26,-22.5,;11.36,-25.6,;12.12,-26.95,;13.66,-26.96,;14.44,-25.62,;13.67,-24.28,;12.13,-24.28,)|
Show InChI InChI=1/C24H28N2S.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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3.10n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101161
PNG
(CHEMBL3326230)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)SCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:16.14,wD:19.21,(18.17,-16.09,;19.49,-16.85,;20.81,-16.09,;19.49,-18.38,;18.17,-19.15,;16.84,-18.38,;18.92,-20.47,;20.45,-20.47,;21.21,-21.8,;21.22,-19.15,;17.4,-20.46,;18.16,-21.79,;15.87,-20.46,;11.7,-23.69,;10.22,-24.1,;9.12,-23.01,;9.82,-25.6,;9.05,-26.92,;7.52,-26.92,;6.75,-25.59,;7.52,-24.26,;9.06,-24.26,;5.84,-26.85,;4.3,-26.69,;3.67,-25.27,;4.58,-24.02,;6.12,-24.18,;6.75,-22.77,;5.61,-21.73,;5.6,-20.17,;4.26,-19.41,;2.93,-20.18,;2.93,-21.73,;4.26,-22.5,;11.36,-25.6,;12.12,-26.95,;13.66,-26.96,;14.44,-25.62,;13.67,-24.28,;12.13,-24.28,)|
Show InChI InChI=1/C24H28N2S.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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3.70n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101101
PNG
(CHEMBL3325960)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(14.07,-29.66,;15.4,-30.42,;16.72,-29.66,;15.4,-31.95,;14.07,-32.71,;12.75,-31.95,;14.83,-34.03,;16.36,-34.04,;17.12,-35.36,;17.12,-32.72,;13.31,-34.03,;14.07,-35.35,;11.78,-34.02,;3.79,-34.96,;4.89,-36.05,;6.38,-35.64,;4.5,-37.55,;3.72,-38.88,;2.19,-38.87,;1.43,-37.54,;2.19,-36.21,;3.73,-36.22,;.52,-38.8,;-1.03,-38.64,;-1.67,-37.22,;-.75,-35.97,;.8,-36.13,;1.43,-34.72,;.28,-33.68,;.27,-32.13,;-1.07,-31.36,;-2.41,-32.14,;-3.74,-31.36,;-2.4,-33.68,;-1.07,-34.45,;6.03,-37.56,;6.8,-38.9,;8.34,-38.91,;9.12,-37.58,;8.34,-36.23,;6.8,-36.23,)|
Show InChI InChI=1/C25H30N2O.C6H8O7/c1-18-9-10-22-21(17-18)20-11-16-28-25(23(20)26-22)14-12-24(13-15-25,27(2)3)19-7-5-4-6-8-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,17,26H,11-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t24-,25-;
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4.5n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101100
PNG
(CHEMBL3325962)
Show SMILES Cl.COc1ccc2[nH]c3c(CCO[C@]33CC[C@@](CC3)(N(C)C)c3ccccc3)c2c1 |r,wU:16.19,wD:13.11,(39.43,-34.33,;20.7,-31.14,;20.7,-32.68,;22.04,-33.45,;23.37,-32.68,;24.7,-33.45,;24.71,-35,;25.86,-36.04,;25.22,-37.45,;23.68,-37.28,;22.78,-38.53,;23.4,-39.95,;24.95,-40.11,;25.85,-38.85,;26.62,-40.18,;28.14,-40.18,;28.92,-38.86,;28.16,-37.53,;26.62,-37.52,;29.31,-37.36,;28.22,-36.28,;30.8,-36.95,;30.45,-38.87,;31.22,-40.21,;32.76,-40.22,;33.53,-38.88,;32.76,-37.54,;31.22,-37.54,;23.37,-35.77,;22.04,-35,)|
Show InChI InChI=1/C25H30N2O2.ClH/c1-27(2)24(18-7-5-4-6-8-18)12-14-25(15-13-24)23-20(11-16-29-25)21-17-19(28-3)9-10-22(21)26-23;/h4-10,17,26H,11-16H2,1-3H3;1H/t24-,25-;
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9.40n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101097
PNG
(CHEMBL3325959)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:15.13,wD:18.20,(31.05,-21.3,;32.37,-22.06,;33.7,-21.3,;32.37,-23.59,;31.05,-24.35,;29.73,-23.59,;31.81,-25.67,;33.33,-25.68,;34.09,-27,;34.1,-24.36,;30.29,-25.67,;31.05,-26.99,;28.76,-25.66,;22.12,-24.26,;23.22,-25.34,;22.83,-26.85,;22.05,-28.17,;20.52,-28.17,;19.76,-26.83,;20.52,-25.5,;22.06,-25.51,;18.85,-28.09,;17.31,-27.93,;16.68,-26.52,;17.59,-25.27,;19.13,-25.43,;19.76,-24.02,;18.61,-22.98,;18.61,-21.42,;17.27,-20.66,;15.94,-21.43,;14.6,-20.66,;15.93,-22.98,;17.27,-23.75,;24.36,-26.85,;25.13,-28.2,;26.67,-28.2,;27.45,-26.87,;26.68,-25.52,;25.14,-25.52,)|
Show InChI InChI=1/C23H25FN2O.C6H8O7/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-8,15,25-26H,9-14H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;
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11n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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18n/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: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101112
PNG
(CHEMBL3325958)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:19.21,16.14,(17.32,-17.54,;18.64,-18.31,;19.96,-17.54,;18.64,-19.83,;17.32,-20.6,;15.99,-19.83,;18.07,-21.92,;19.6,-21.92,;20.36,-23.25,;20.37,-20.6,;16.55,-21.91,;17.31,-23.24,;15.02,-21.91,;10.36,-24.59,;8.87,-25,;7.78,-23.92,;8.48,-26.5,;7.72,-25.17,;6.18,-25.16,;5.41,-26.49,;6.18,-27.82,;7.7,-27.83,;4.5,-27.75,;2.96,-27.59,;2.33,-26.17,;3.24,-24.92,;4.78,-25.09,;5.41,-23.67,;4.26,-22.63,;4.26,-21.08,;2.92,-20.31,;1.59,-21.09,;.25,-20.31,;1.59,-22.64,;2.92,-23.41,;10.02,-26.51,;10.78,-27.85,;12.32,-27.86,;13.1,-26.53,;12.33,-25.18,;10.79,-25.18,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24+;
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46n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101112
PNG
(CHEMBL3325958)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:19.21,16.14,(17.32,-17.54,;18.64,-18.31,;19.96,-17.54,;18.64,-19.83,;17.32,-20.6,;15.99,-19.83,;18.07,-21.92,;19.6,-21.92,;20.36,-23.25,;20.37,-20.6,;16.55,-21.91,;17.31,-23.24,;15.02,-21.91,;10.36,-24.59,;8.87,-25,;7.78,-23.92,;8.48,-26.5,;7.72,-25.17,;6.18,-25.16,;5.41,-26.49,;6.18,-27.82,;7.7,-27.83,;4.5,-27.75,;2.96,-27.59,;2.33,-26.17,;3.24,-24.92,;4.78,-25.09,;5.41,-23.67,;4.26,-22.63,;4.26,-21.08,;2.92,-20.31,;1.59,-21.09,;.25,-20.31,;1.59,-22.64,;2.92,-23.41,;10.02,-26.51,;10.78,-27.85,;12.32,-27.86,;13.1,-26.53,;12.33,-25.18,;10.79,-25.18,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24+;
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97n/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 by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
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 MOP receptor expressed in CHO-K1 cells by scintillation proximity assay


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus-RAT)
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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480n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex L-type Ca2+-channel phenylalkylamine site


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus-RAT)
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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800n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex L-type Ca2+-channel benzothiazepine site


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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>1.00E+5n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus-RAT)
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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>1.00E+5n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Inhibition of rat whole brain L-type Ca2+-channel dihydropyridine site


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101096
PNG
(CHEMBL3325961)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(26.19,-30.17,;27.51,-30.93,;28.83,-30.17,;27.51,-32.46,;26.19,-33.22,;24.86,-32.46,;26.94,-34.54,;28.47,-34.55,;29.23,-35.87,;29.24,-33.23,;25.42,-34.54,;26.18,-35.86,;23.89,-34.53,;16.55,-35.59,;17.65,-36.68,;19.13,-36.27,;17.25,-38.18,;16.48,-39.51,;14.95,-39.5,;14.18,-38.17,;14.95,-36.84,;16.49,-36.85,;13.27,-39.43,;11.73,-39.27,;11.1,-37.85,;12.01,-36.6,;13.55,-36.76,;14.18,-35.35,;13.04,-34.31,;13.03,-32.76,;11.69,-31.99,;10.36,-32.76,;9.02,-31.99,;10.36,-34.31,;11.69,-35.08,;18.79,-38.19,;19.55,-39.53,;21.1,-39.54,;21.87,-38.2,;21.1,-36.86,;19.56,-36.86,)|
Show InChI InChI=1/C24H28N2O2.C6H8O7/c1-26(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(27)8-9-21(20)25-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,25,27H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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n/an/an/an/a 1.20n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101097
PNG
(CHEMBL3325959)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:15.13,wD:18.20,(31.05,-21.3,;32.37,-22.06,;33.7,-21.3,;32.37,-23.59,;31.05,-24.35,;29.73,-23.59,;31.81,-25.67,;33.33,-25.68,;34.09,-27,;34.1,-24.36,;30.29,-25.67,;31.05,-26.99,;28.76,-25.66,;22.12,-24.26,;23.22,-25.34,;22.83,-26.85,;22.05,-28.17,;20.52,-28.17,;19.76,-26.83,;20.52,-25.5,;22.06,-25.51,;18.85,-28.09,;17.31,-27.93,;16.68,-26.52,;17.59,-25.27,;19.13,-25.43,;19.76,-24.02,;18.61,-22.98,;18.61,-21.42,;17.27,-20.66,;15.94,-21.43,;14.6,-20.66,;15.93,-22.98,;17.27,-23.75,;24.36,-26.85,;25.13,-28.2,;26.67,-28.2,;27.45,-26.87,;26.68,-25.52,;25.14,-25.52,)|
Show InChI InChI=1/C23H25FN2O.C6H8O7/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-8,15,25-26H,9-14H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;
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n/an/an/an/a 60n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101097
PNG
(CHEMBL3325959)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:15.13,wD:18.20,(31.05,-21.3,;32.37,-22.06,;33.7,-21.3,;32.37,-23.59,;31.05,-24.35,;29.73,-23.59,;31.81,-25.67,;33.33,-25.68,;34.09,-27,;34.1,-24.36,;30.29,-25.67,;31.05,-26.99,;28.76,-25.66,;22.12,-24.26,;23.22,-25.34,;22.83,-26.85,;22.05,-28.17,;20.52,-28.17,;19.76,-26.83,;20.52,-25.5,;22.06,-25.51,;18.85,-28.09,;17.31,-27.93,;16.68,-26.52,;17.59,-25.27,;19.13,-25.43,;19.76,-24.02,;18.61,-22.98,;18.61,-21.42,;17.27,-20.66,;15.94,-21.43,;14.6,-20.66,;15.93,-22.98,;17.27,-23.75,;24.36,-26.85,;25.13,-28.2,;26.67,-28.2,;27.45,-26.87,;26.68,-25.52,;25.14,-25.52,)|
Show InChI InChI=1/C23H25FN2O.C6H8O7/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-8,15,25-26H,9-14H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;
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n/an/an/an/a 2.60n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101099
PNG
(CHEMBL3326228)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(19.24,-9.37,;10.32,-12.36,;8.84,-12.77,;7.74,-11.68,;8.44,-14.27,;7.67,-15.59,;6.14,-15.59,;5.38,-14.26,;6.14,-12.93,;7.68,-12.94,;4.47,-15.52,;2.93,-15.35,;2.3,-13.94,;3.21,-12.69,;4.75,-12.85,;5.38,-11.44,;4.23,-10.41,;4.23,-8.85,;2.89,-8.09,;1.56,-8.86,;1.56,-10.41,;2.89,-11.18,;9.98,-14.28,;10.74,-15.62,;12.28,-15.63,;13.06,-14.29,;12.29,-12.95,;10.75,-12.95,)|
Show InChI InChI=1/C24H29N3.ClH/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22;/h3-11,25-26H,12-17H2,1-2H3;1H/t23-,24-;
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n/an/an/an/a 1.30n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101099
PNG
(CHEMBL3326228)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(19.24,-9.37,;10.32,-12.36,;8.84,-12.77,;7.74,-11.68,;8.44,-14.27,;7.67,-15.59,;6.14,-15.59,;5.38,-14.26,;6.14,-12.93,;7.68,-12.94,;4.47,-15.52,;2.93,-15.35,;2.3,-13.94,;3.21,-12.69,;4.75,-12.85,;5.38,-11.44,;4.23,-10.41,;4.23,-8.85,;2.89,-8.09,;1.56,-8.86,;1.56,-10.41,;2.89,-11.18,;9.98,-14.28,;10.74,-15.62,;12.28,-15.63,;13.06,-14.29,;12.29,-12.95,;10.75,-12.95,)|
Show InChI InChI=1/C24H29N3.ClH/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22;/h3-11,25-26H,12-17H2,1-2H3;1H/t23-,24-;
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n/an/an/an/a 0.200n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101096
PNG
(CHEMBL3325961)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(26.19,-30.17,;27.51,-30.93,;28.83,-30.17,;27.51,-32.46,;26.19,-33.22,;24.86,-32.46,;26.94,-34.54,;28.47,-34.55,;29.23,-35.87,;29.24,-33.23,;25.42,-34.54,;26.18,-35.86,;23.89,-34.53,;16.55,-35.59,;17.65,-36.68,;19.13,-36.27,;17.25,-38.18,;16.48,-39.51,;14.95,-39.5,;14.18,-38.17,;14.95,-36.84,;16.49,-36.85,;13.27,-39.43,;11.73,-39.27,;11.1,-37.85,;12.01,-36.6,;13.55,-36.76,;14.18,-35.35,;13.04,-34.31,;13.03,-32.76,;11.69,-31.99,;10.36,-32.76,;9.02,-31.99,;10.36,-34.31,;11.69,-35.08,;18.79,-38.19,;19.55,-39.53,;21.1,-39.54,;21.87,-38.2,;21.1,-36.86,;19.56,-36.86,)|
Show InChI InChI=1/C24H28N2O2.C6H8O7/c1-26(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(27)8-9-21(20)25-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,25,27H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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n/an/an/an/a 120n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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n/an/an/an/a 13n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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n/an/an/an/a 1.20n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%