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PubMed code 27185012

Compile data set for download or QSAR
Found 8 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50174573
PNG
(CHEMBL3808477)
Show SMILES Clc1ccc2C(=O)CC(C(=O)N3CCc4ccccc4C3CN3CCCC3)c2c1
Show InChI InChI=1/C24H25ClN2O2/c25-17-7-8-19-20(13-17)21(14-23(19)28)24(29)27-12-9-16-5-1-2-6-18(16)22(27)15-26-10-3-4-11-26/h1-2,5-8,13,21-22H,3-4,9-12,14-15H2
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0.0330n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...


Bioorg Med Chem 24: 2964-2970 (2016)

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


(Homo sapiens (Human))
BDBM50174570
PNG
(CHEMBL3808824)
Show SMILES [I-].CCCC[N+]1(CC2N(CCc3ccccc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1
Show InChI InChI=1/C28H34ClN2O2.HI/c1-2-3-14-31(15-6-7-16-31)19-26-22-9-5-4-8-20(22)12-13-30(26)28(33)25-18-27(32)23-11-10-21(29)17-24(23)25;/h4-5,8-11,17,25-26H,2-3,6-7,12-16,18-19H2,1H3;1H/q+1;/p-1
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0.940n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...


Bioorg Med Chem 24: 2964-2970 (2016)

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


(Homo sapiens (Human))
BDBM50174571
PNG
(CHEMBL3809310)
Show SMILES [Br-].Clc1ccc2C(=O)CC(C(=O)N3CCc4ccccc4C3C[N+]3(CC=C)CCCC3)c2c1
Show InChI InChI=1/C27H30ClN2O2.BrH/c1-2-13-30(14-5-6-15-30)18-25-21-8-4-3-7-19(21)11-12-29(25)27(32)24-17-26(31)22-10-9-20(28)16-23(22)24;/h2-4,7-10,16,24-25H,1,5-6,11-15,17-18H2;1H/q+1;/p-1
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1.90n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...


Bioorg Med Chem 24: 2964-2970 (2016)

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


(Homo sapiens (Human))
BDBM50174572
PNG
(CHEMBL3809782)
Show SMILES [Br-].Clc1ccc2C(=O)CC(C(=O)N3CCc4ccccc4C3C[N+]3(CC4CC4)CCCC3)c2c1
Show InChI InChI=1/C28H32ClN2O2.BrH/c29-21-9-10-23-24(15-21)25(16-27(23)32)28(33)30-12-11-20-5-1-2-6-22(20)26(30)18-31(13-3-4-14-31)17-19-7-8-19;/h1-2,5-6,9-10,15,19,25-26H,3-4,7-8,11-14,16-18H2;1H/q+1;/p-1
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3.60n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...


Bioorg Med Chem 24: 2964-2970 (2016)

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


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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CHEMBL
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PubMed
6.10n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...


Bioorg Med Chem 24: 2964-2970 (2016)

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


(Homo sapiens (Human))
BDBM50174576
PNG
(CHEMBL3809031)
Show SMILES [I-].C[N+]1(CC2N(CCc3ccc(F)cc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1
Show InChI InChI=1/C25H27ClFN2O2.HI/c1-29(10-2-3-11-29)15-23-20-13-18(27)6-4-16(20)8-9-28(23)25(31)22-14-24(30)19-7-5-17(26)12-21(19)22;/h4-7,12-13,22-23H,2-3,8-11,14-15H2,1H3;1H/q+1;/p-1
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138n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...


Bioorg Med Chem 24: 2964-2970 (2016)

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


(Homo sapiens (Human))
BDBM50174575
PNG
(CHEMBL3808514)
Show SMILES [I-].C[N+]1(CC2N(CCc3cc(O)ccc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1
Show InChI InChI=1/C25H27ClN2O3.HI/c1-28(10-2-3-11-28)15-23-19-7-5-18(29)12-16(19)8-9-27(23)25(31)22-14-24(30)20-6-4-17(26)13-21(20)22;/h4-7,12-13,22-23H,2-3,8-11,14-15H2,1H3;1H
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231n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...


Bioorg Med Chem 24: 2964-2970 (2016)

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


(Homo sapiens (Human))
BDBM50174574
PNG
(CHEMBL3809729)
Show SMILES [I-].C[N+]1(CC2N(CCc3ccccc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1
Show InChI InChI=1/C25H28ClN2O2.HI/c1-28(12-4-5-13-28)16-23-19-7-3-2-6-17(19)10-11-27(23)25(30)22-15-24(29)20-9-8-18(26)14-21(20)22;/h2-3,6-9,14,22-23H,4-5,10-13,15-16H2,1H3;1H/q+1;/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...


Bioorg Med Chem 24: 2964-2970 (2016)

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