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Compile Data Set for Download or QSAR

Found 3478 hits with Last Name = 'sun' and Initial = 'b'   
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127310
PNG
(US8791268, 21)
Show SMILES COc1cc(CC(=O)NCc2ccc(nc2N2CCC(C)CC2)C(F)(F)F)cc(Br)c1O
Show InChI InChI=1S/C22H25BrF3N3O3/c1-13-5-7-29(8-6-13)21-15(3-4-18(28-21)22(24,25)26)12-27-19(30)11-14-9-16(23)20(31)17(10-14)32-2/h3-4,9-10,13,31H,5-8,11-12H2,1-2H3,(H,27,30)
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US Patent
0.100n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100983
PNG
(CHEMBL3326224)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101099
PNG
(CHEMBL3326228)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101306
PNG
(CHEMBL3326229)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)N(C)CCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100983
PNG
(CHEMBL3326224)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177911
PNG
(US9120797, 10 | US9120797, 9)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H29N3/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
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US Patent
0.260 -54.7n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101088
PNG
(CHEMBL3326220)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)NC(=O)CCC1CCCC1)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177903
PNG
(US9120797, 1 | US9120797, 2 | US9120797, 3)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H28N2O/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
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US Patent
0.300 -54.4n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127312
PNG
(US8791268, 23)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Br)c(O)c(Br)c1)C(F)(F)F
Show InChI InChI=1S/C21H22Br2F3N3O2/c1-12-4-6-29(7-5-12)20-14(2-3-17(28-20)21(24,25)26)11-27-18(30)10-13-8-15(22)19(31)16(23)9-13/h2-3,8-9,12,31H,4-7,10-11H2,1H3,(H,27,30)
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US Patent
0.300n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100983
PNG
(CHEMBL3326224)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM177911
PNG
(US9120797, 10 | US9120797, 9)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H29N3/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
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US Patent
0.360 -53.9n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
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
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101099
PNG
(CHEMBL3326228)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101091
PNG
(CHEMBL3326223)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccc(F)cc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101096
PNG
(CHEMBL3325961)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100991
PNG
(CHEMBL3325879)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)NCCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101088
PNG
(CHEMBL3326220)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)NC(=O)CCC1CCCC1)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177935
PNG
(US9120797, 33)
Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1
Show InChI InChI=1S/C25H31N3/c1-18-17-21-20-11-7-8-12-22(20)26-23(21)24(27-18)13-15-25(16-14-24,28(2)3)19-9-5-4-6-10-19/h4-12,18,26-27H,13-17H2,1-3H3
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US Patent
0.5 -53.1n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM177935
PNG
(US9120797, 33)
Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1
Show InChI InChI=1S/C25H31N3/c1-18-17-21-20-11-7-8-12-22(20)26-23(21)24(27-18)13-15-25(16-14-24,28(2)3)19-9-5-4-6-10-19/h4-12,18,26-27H,13-17H2,1-3H3
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US Patent
0.5 -53.1n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101306
PNG
(CHEMBL3326229)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)N(C)CCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/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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PubMed
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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM177955
PNG
(US9120797, 53)
Show SMILES CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12
Show InChI InChI=1S/C25H31N3/c1-28(2)24(18-19-8-4-3-5-9-19)13-15-25(16-14-24)23-21(12-17-26-25)20-10-6-7-11-22(20)27-23/h3-11,26-27H,12-18H2,1-2H3
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US Patent
0.600 -52.6n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM177903
PNG
(US9120797, 1 | US9120797, 2 | US9120797, 3)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H28N2O/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
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0.600 -52.6n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100983
PNG
(CHEMBL3326224)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177903
PNG
(US9120797, 1 | US9120797, 2 | US9120797, 3)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H28N2O/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
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0.600 -52.6n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127311
PNG
(US8791268, 22)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Br)c(N)c(Br)c1)C(F)(F)F
Show InChI InChI=1S/C21H23Br2F3N4O/c1-12-4-6-30(7-5-12)20-14(2-3-17(29-20)21(24,25)26)11-28-18(31)10-13-8-15(22)19(27)16(23)9-13/h2-3,8-9,12H,4-7,10-11,27H2,1H3,(H,28,31)
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0.700n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM177936
PNG
(US9120797, 34)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
Show InChI InChI=1S/C24H28FN3/c1-28(2)24(17-6-4-3-5-7-17)13-11-23(12-14-24)22-19(10-15-26-23)20-16-18(25)8-9-21(20)27-22/h3-9,16,26-27H,10-15H2,1-2H3
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0.700 -52.3n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50100993
PNG
(CHEMBL3325881)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177948
PNG
(US9120797, 46)
Show SMILES COC(=O)C1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1
Show InChI InChI=1S/C26H31N3O2/c1-29(2)26(18-9-5-4-6-10-18)15-13-25(14-16-26)23-20(17-22(28-25)24(30)31-3)19-11-7-8-12-21(19)27-23/h4-12,22,27-28H,13-17H2,1-3H3
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US Patent
0.900 -51.6n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127309
PNG
(US8791268, 20)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(Br)c(N)c(Br)c1
Show InChI InChI=1S/C22H25Br2F3N4O/c1-12-5-7-31(8-6-12)20-14(3-4-18(30-20)22(25,26)27)11-29-21(32)13(2)15-9-16(23)19(28)17(24)10-15/h3-4,9-10,12-13H,5-8,11,28H2,1-2H3,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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1n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101096
PNG
(CHEMBL3325961)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50101090
PNG
(CHEMBL3326222)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q28S4RPM
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
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101100
PNG
(CHEMBL3325962)
Show SMILES COc1ccc2[nH]c3c(CCO[C@]33CC[C@@](CC3)(N(C)C)c3ccccc3)c2c1
Show InChI InChI=1S/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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177955
PNG
(US9120797, 53)
Show SMILES CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12
Show InChI InChI=1S/C25H31N3/c1-28(2)24(18-19-8-4-3-5-9-19)13-15-25(16-14-24)23-21(12-17-26-25)20-10-6-7-11-22(20)27-23/h3-11,26-27H,12-18H2,1-2H3
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US Patent
1.10 -51.1n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM177947
PNG
(US9120797, 45)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1
Show InChI InChI=1S/C24H28N2O2/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/h3-9,16,25,27H,10-15H2,1-2H3
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1.10 -51.1n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127308
PNG
(US8791268, 19)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C22H24Br2F3N3O2/c1-12-5-7-30(8-6-12)20-14(3-4-18(29-20)22(25,26)27)11-28-21(32)13(2)15-9-16(23)19(31)17(24)10-15/h3-4,9-10,12-13,31H,5-8,11H2,1-2H3,(H,28,32)
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1.10n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177934
PNG
(US9120797, 32)
Show SMILES CN(C)C1(CCC2(CC1)N(CCc1c2[nH]c2cc(F)ccc12)C(C)=O)c1ccccc1
Show InChI InChI=1S/C26H30FN3O/c1-18(31)30-16-11-22-21-10-9-20(27)17-23(21)28-24(22)26(30)14-12-25(13-15-26,29(2)3)19-7-5-4-6-8-19/h4-10,17,28H,11-16H2,1-3H3
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US Patent
1.10 -51.1n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM177930
PNG
(US9120797, 28)
Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H26N2O/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/h2-10,24-25H,11-16H2,1H3
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US Patent
1.20 -50.9n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177925
PNG
(US9120797, 23)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1cccc(F)c1
Show InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-6-5-7-18(25)16-17)11-13-24(14-12-23)22-20(10-15-28-24)19-8-3-4-9-21(19)26-22/h3-9,16,26H,10-15H2,1-2H3
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US Patent
1.20 -50.9n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177916
PNG
(US9120797, 14 | US9120797, 15)
Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1
Show InChI InChI=1S/C25H30N2O/c1-18-17-21-20-11-7-8-12-22(20)26-23(21)25(28-18)15-13-24(14-16-25,27(2)3)19-9-5-4-6-10-19/h4-12,18,26H,13-17H2,1-3H3
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US Patent
1.20 -50.9n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
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
Show InChI InChI=1S/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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PubMed
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
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM177903
PNG
(US9120797, 1 | US9120797, 2 | US9120797, 3)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H28N2O/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
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US Patent
1.30 -50.7n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177930
PNG
(US9120797, 28)
Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H26N2O/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/h2-10,24-25H,11-16H2,1H3
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US Patent
1.40 -50.5n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM177936
PNG
(US9120797, 34)
Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
Show InChI InChI=1S/C24H28FN3/c1-28(2)24(17-6-4-3-5-7-17)13-11-23(12-14-24)22-19(10-15-26-23)20-16-18(25)8-9-21(20)27-22/h3-9,16,26-27H,10-15H2,1-2H3
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US Patent
1.40 -50.5n/an/an/an/an/a7.425



Gruenenthal GmbH

US Patent


Assay Description
The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50353165
PNG
(CHEMBL1829472)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ncccn1
Show InChI InChI=1S/C22H25N5O2/c1-17-5-2-14-26(17)15-4-16-29-19-8-6-18(7-9-19)20-10-11-21(28)27(25-20)22-23-12-3-13-24-22/h3,6-13,17H,2,4-5,14-16H2,1H3/t17-/m1/s1
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PubMed
1.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM177926
PNG
(US9120797, 24 | US9120797, 25)
Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
Show InChI InChI=1S/C24H27FN2O/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/h3-9,16,26H,10-15H2,1-2H3
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US Patent
1.5 -50.4n/an/an/an/an/an/a25



Gruenenthal GmbH

US Patent


Assay Description
The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...


US Patent US9120797 (2015)


BindingDB Entry DOI: 10.7270/Q2X065T3
More data for this
Ligand-Target Pair
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