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Compile Data Set for Download or QSAR

Found 236 hits with Last Name = 'jutkiewicz' and Initial = 'em'   
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
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM184561
PNG
(US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2
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0.00900n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133884
PNG
(CHEMBL3634251)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C28H38N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h11-14,16,20,26-27,31H,3-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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0.0120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM184561
PNG
(US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2
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0.0210n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM184561
PNG
(US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2
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0.0220n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133885
PNG
(CHEMBL3634250)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc12
Show InChI InChI=1S/C29H39N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h9-10,13-14,16,21,26-27,34H,4-8,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395218
PNG
(CHEMBL2164666 | US9150581, RTI-7527-192)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC2CCC1N2
Show InChI InChI=1S/C18H16F4N2O2S/c19-17-15(7-11(9-23-17)14-8-12-3-6-16(14)24-12)10-1-4-13(5-2-10)27(25,26)18(20,21)22/h1-2,4-5,7,9,12,14,16,24H,3,6,8H2
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0.0300n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133890
PNG
(CHEMBL3634258)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCc4ccccc34)ccc12
Show InChI InChI=1S/C32H37N3O3/c1-19-14-25(37)15-20(2)27(19)18-29(33)32(38)34-30-12-13-35(21(3)36)31-11-8-22(17-28(30)31)16-24-10-9-23-6-4-5-7-26(23)24/h4-8,11,14-15,17,24,29-30,37H,9-10,12-13,16,18,33H2,1-3H3,(H,34,38)/t24?,29-,30+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.0430n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133887
PNG
(CHEMBL3634248)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C28H32N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h3-5,7-8,11-14,16,26-27,31H,6,9-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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0.0450n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12
Show InChI InChI=1S/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133892
PNG
(CHEMBL3634256)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3Cc4ccccc4C3)ccc12
Show InChI InChI=1S/C32H37N3O3/c1-19-12-26(37)13-20(2)27(19)18-29(33)32(38)34-30-10-11-35(21(3)36)31-9-8-22(17-28(30)31)14-23-15-24-6-4-5-7-25(24)16-23/h4-9,12-13,17,23,29-30,37H,10-11,14-16,18,33H2,1-3H3,(H,34,38)/t29-,30+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133894
PNG
(CHEMBL3634254)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc34)ccc12
Show InChI InChI=1S/C33H35N3O3/c1-20-15-26(38)16-21(2)28(20)19-30(34)33(39)35-31-13-14-36(22(3)37)32-12-11-23(18-29(31)32)17-25-9-6-8-24-7-4-5-10-27(24)25/h4-12,15-16,18,30-31,38H,13-14,17,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133895
PNG
(CHEMBL3634253)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C32H34N2O2/c1-20-14-27(35)15-21(2)28(20)19-30(33)32(36)34-31-9-5-8-25-13-11-23(18-29(25)31)16-22-10-12-24-6-3-4-7-26(24)17-22/h3-4,6-7,10-15,17-18,30-31,35H,5,8-9,16,19,33H2,1-2H3,(H,34,36)/t30-,31+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM86805
PNG
(CAS_45263788 | NSC_45263788 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1cccc(Cl)c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2
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0.0730n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427559
PNG
(CHEMBL2322562)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.0780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427559
PNG
(CHEMBL2322562)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.0780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395220
PNG
(CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
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0.0800n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185315
PNG
(CHEMBL3823958)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C34H35N3O3/c1-22-17-27(38)18-23(2)28(22)21-30(35)33(39)36-31-15-16-37(34(40)26-11-7-4-8-12-26)32-14-13-25(20-29(31)32)19-24-9-5-3-6-10-24/h3-14,17-18,20,30-31,38H,15-16,19,21,35H2,1-2H3,(H,36,39)/t30-,31+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395220
PNG
(CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
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0.0820n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185309
PNG
(CHEMBL3824052)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12
Show InChI InChI=1S/C31H37N3O3/c1-4-8-30(36)34-14-13-28(26-18-23(11-12-29(26)34)17-22-9-6-5-7-10-22)33-31(37)27(32)19-25-20(2)15-24(35)16-21(25)3/h5-7,9-12,15-16,18,27-28,35H,4,8,13-14,17,19,32H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185311
PNG
(CHEMBL3823231)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C31H35N3O3/c1-19-14-24(35)15-20(2)25(19)18-27(32)30(36)33-28-12-13-34(31(37)23-9-10-23)29-11-8-22(17-26(28)29)16-21-6-4-3-5-7-21/h3-8,11,14-15,17,23,27-28,35H,9-10,12-13,16,18,32H2,1-2H3,(H,33,36)/t27-,28+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395217
PNG
(CHEMBL2164667 | US9150581, RTI-7527-168)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)
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0.120n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185308
PNG
(CHEMBL3822956)
Show SMILES CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12
Show InChI InChI=1S/C30H35N3O3/c1-4-29(35)33-13-12-27(25-17-22(10-11-28(25)33)16-21-8-6-5-7-9-21)32-30(36)26(31)18-24-19(2)14-23(34)15-20(24)3/h5-11,14-15,17,26-27,34H,4,12-13,16,18,31H2,1-3H3,(H,32,36)/t26-,27+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133888
PNG
(CHEMBL3634247)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12
Show InChI InChI=1S/C29H33N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h4-10,13-14,16,26-27,34H,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185329
PNG
(CHEMBL3823891)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C35H39N3O3/c1-4-7-34(40)38-15-14-32(37-35(41)31(36)21-29-22(2)16-28(39)17-23(29)3)30-20-25(11-13-33(30)38)18-24-10-12-26-8-5-6-9-27(26)19-24/h5-6,8-13,16-17,19-20,31-32,39H,4,7,14-15,18,21,36H2,1-3H3,(H,37,41)/t31-,32+/m0/s1
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0.140n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50185312
PNG
(CHEMBL3823787)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C32H37N3O3/c1-20-15-25(36)16-21(2)26(20)19-28(33)31(37)34-29-13-14-35(32(38)24-9-6-10-24)30-12-11-23(18-27(29)30)17-22-7-4-3-5-8-22/h3-5,7-8,11-12,15-16,18,24,28-29,36H,6,9-10,13-14,17,19,33H2,1-2H3,(H,34,37)/t28-,29+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185314
PNG
(CHEMBL3822963)
Show SMILES COCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12
Show InChI InChI=1S/C30H35N3O4/c1-19-13-23(34)14-20(2)24(19)17-26(31)30(36)32-27-11-12-33(29(35)18-37-3)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h4-10,13-14,16,26-27,34H,11-12,15,17-18,31H2,1-3H3,(H,32,36)/t26-,27+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395220
PNG
(CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
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0.170n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50171007
PNG
(4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2
Show InChI InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2
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0.190n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185313
PNG
(CHEMBL3823830)
Show SMILES COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12
Show InChI InChI=1S/C29H33N3O4/c1-18-13-22(33)14-19(2)23(18)17-25(30)28(34)31-26-11-12-32(29(35)36-3)27-10-9-21(16-24(26)27)15-20-7-5-4-6-8-20/h4-10,13-14,16,25-26,33H,11-12,15,17,30H2,1-3H3,(H,31,34)/t25-,26+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50185326
PNG
(CHEMBL3823186)
Show SMILES CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C34H37N3O3/c1-4-33(39)37-14-13-31(36-34(40)30(35)20-28-21(2)15-27(38)16-22(28)3)29-19-24(10-12-32(29)37)17-23-9-11-25-7-5-6-8-26(25)18-23/h5-12,15-16,18-19,30-31,38H,4,13-14,17,20,35H2,1-3H3,(H,36,40)/t30-,31+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185316
PNG
(CHEMBL3824309)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(N)=O)c2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C29H34N4O3/c1-18-12-22(34)13-19(2)23(18)16-25(30)29(36)32-26-10-11-33(17-28(31)35)27-9-8-21(15-24(26)27)14-20-6-4-3-5-7-20/h3-9,12-13,15,25-26,34H,10-11,14,16-17,30H2,1-2H3,(H2,31,35)(H,32,36)/t25-,26+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185312
PNG
(CHEMBL3823787)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C32H37N3O3/c1-20-15-25(36)16-21(2)26(20)19-28(33)31(37)34-29-13-14-35(32(38)24-9-6-10-24)30-12-11-23(18-27(29)30)17-22-7-4-3-5-8-22/h3-5,7-8,11-12,15-16,18,24,28-29,36H,6,9-10,13-14,17,19,33H2,1-2H3,(H,34,37)/t28-,29+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM86806
PNG
(CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
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0.240n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM86806
PNG
(CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
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0.240n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427558
PNG
(CHEMBL2322560)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CCc3ccccc3)cc12
Show InChI InChI=1S/C28H33N3O2/c1-18-14-22(32)15-19(2)23(18)17-25(29)28(33)31-27-12-13-30-26-11-10-21(16-24(26)27)9-8-20-6-4-3-5-7-20/h3-7,10-11,14-16,25,27,30,32H,8-9,12-13,17,29H2,1-2H3,(H,31,33)/t25-,27+/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50185315
PNG
(CHEMBL3823958)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C34H35N3O3/c1-22-17-27(38)18-23(2)28(22)21-30(35)33(39)36-31-15-16-37(34(40)26-11-7-4-8-12-26)32-14-13-25(20-29(31)32)19-24-9-5-3-6-10-24/h3-14,17-18,20,30-31,38H,15-16,19,21,35H2,1-2H3,(H,36,39)/t30-,31+/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM86806
PNG
(CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
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0.260n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185326
PNG
(CHEMBL3823186)
Show SMILES CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C34H37N3O3/c1-4-33(39)37-14-13-31(36-34(40)30(35)20-28-21(2)15-27(38)16-22(28)3)29-19-24(10-12-32(29)37)17-23-9-11-25-7-5-6-8-26(25)18-23/h5-12,15-16,18-19,30-31,38H,4,13-14,17,20,35H2,1-3H3,(H,36,40)/t30-,31+/m0/s1
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0.280n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133885
PNG
(CHEMBL3634250)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc12
Show InChI InChI=1S/C29H39N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h9-10,13-14,16,21,26-27,34H,4-8,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185330
PNG
(CHEMBL3824356)
Show SMILES COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C33H35N3O4/c1-20-14-26(37)15-21(2)27(20)19-29(34)32(38)35-30-12-13-36(33(39)40-3)31-11-9-23(18-28(30)31)16-22-8-10-24-6-4-5-7-25(24)17-22/h4-11,14-15,17-18,29-30,37H,12-13,16,19,34H2,1-3H3,(H,35,38)/t29-,30+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50185311
PNG
(CHEMBL3823231)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C31H35N3O3/c1-19-14-24(35)15-20(2)25(19)18-27(32)30(36)33-28-12-13-34(31(37)23-9-10-23)29-11-8-22(17-26(28)29)16-21-6-4-3-5-7-21/h3-8,11,14-15,17,23,27-28,35H,9-10,12-13,16,18,32H2,1-2H3,(H,33,36)/t27-,28+/m0/s1
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0.350n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM184563
PNG
(US9150581, RTI-7527-169)
Show SMILES NC(=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-2-1-3-11(6-10)18(20)23)7-12(9-21-17)14-8-13-4-5-16(14)22-13/h1-3,6-7,9,13-14,16,22H,4-5,8H2,(H2,20,23)
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0.360n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185317
PNG
(CHEMBL3823815)
Show SMILES CCOC(=O)CN1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12
Show InChI InChI=1S/C31H37N3O4/c1-4-38-30(36)19-34-13-12-28(26-17-23(10-11-29(26)34)16-22-8-6-5-7-9-22)33-31(37)27(32)18-25-20(2)14-24(35)15-21(25)3/h5-11,14-15,17,27-28,35H,4,12-13,16,18-19,32H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
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