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PubMed code 25599839

Compile data set for download or QSAR
Found 75 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061371
PNG
(CHEMBL3394003)
Show SMILES CSc1c[nH]c(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C19H23N5OS/c1-26-14-12-16(20-13-14)18(25)22-19-21-15-6-2-3-7-17(15)24(19)11-10-23-8-4-5-9-23/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,21,22,25)
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n/an/an/an/a 12n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061373
PNG
(CHEMBL3393999)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21N5OS/c27-19(20-22-16-8-2-4-10-18(16)28-20)24-21-23-15-7-1-3-9-17(15)26(21)14-13-25-11-5-6-12-25/h1-4,7-10H,5-6,11-14H2,(H,23,24,27)
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n/an/an/an/a 1.00E+5n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061377
PNG
(CHEMBL3393885)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H21N5O/c22-15-16-6-5-7-17(14-16)20(27)24-21-23-18-8-1-2-9-19(18)26(21)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13H2,(H,23,24,27)
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n/an/an/an/a 5.50E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061385
PNG
(CHEMBL3393997)
Show SMILES OC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C19H20N4O3S/c24-17(15-7-8-16(27-15)18(25)26)21-19-20-13-5-1-2-6-14(13)23(19)12-11-22-9-3-4-10-22/h1-2,5-8H,3-4,9-12H2,(H,25,26)(H,20,21,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061387
PNG
(CHEMBL3393995)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccs1
Show InChI InChI=1S/C18H20N4OS/c23-17(16-8-5-13-24-16)20-18-19-14-6-1-2-7-15(14)22(18)12-11-21-9-3-4-10-21/h1-2,5-8,13H,3-4,9-12H2,(H,19,20,23)
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n/an/an/an/a 1.05E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061390
PNG
(CHEMBL3393990)
Show SMILES Clc1ccc(cc1-n1cccn1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C23H23ClN6O/c24-18-9-8-17(16-21(18)30-13-5-10-25-30)22(31)27-23-26-19-6-1-2-7-20(19)29(23)15-14-28-11-3-4-12-28/h1-2,5-10,13,16H,3-4,11-12,14-15H2,(H,26,27,31)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061399
PNG
(CHEMBL3393890)
Show SMILES CC(=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C22H24N4O2/c1-16(27)17-7-6-8-18(15-17)21(28)24-22-23-19-9-2-3-10-20(19)26(22)14-13-25-11-4-5-12-25/h2-3,6-10,15H,4-5,11-14H2,1H3,(H,23,24,28)
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n/an/an/an/a 970n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061400
PNG
(CHEMBL3393069)
Show SMILES CC(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C22H24N4O2/c1-16(27)17-8-10-18(11-9-17)21(28)24-22-23-19-6-2-3-7-20(19)26(22)15-14-25-12-4-5-13-25/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,24,28)
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n/an/an/an/a 537n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061566
PNG
(CHEMBL3393883)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H21N5O/c22-15-16-7-9-17(10-8-16)20(27)24-21-23-18-5-1-2-6-19(18)26(21)14-13-25-11-3-4-12-25/h1-2,5-10H,3-4,11-14H2,(H,23,24,27)
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n/an/an/an/a 355n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061571
PNG
(CHEMBL1427072)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)14(19)18-15-16-12-4-2-3-5-13(12)17-15/h2-9H,1H3,(H2,16,17,18,19)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061375
PNG
(CHEMBL3393993)
Show SMILES Cc1ccc(nc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H23N5O/c1-15-8-9-17(21-14-15)19(26)23-20-22-16-6-2-3-7-18(16)25(20)13-12-24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,26)
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n/an/an/an/a 1.00E+5n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061382
PNG
(CHEMBL3394006)
Show SMILES O[C@H]1CCN(CCn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc23)C1 |r|
Show InChI InChI=1/C20H21ClN4O2/c21-15-7-5-14(6-8-15)19(27)23-20-22-17-3-1-2-4-18(17)25(20)12-11-24-10-9-16(26)13-24/h1-8,16,26H,9-13H2,(H,22,23,27)/t16-/s2
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n/an/an/an/a 1.85E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061375
PNG
(CHEMBL3393993)
Show SMILES Cc1ccc(nc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H23N5O/c1-15-8-9-17(21-14-15)19(26)23-20-22-16-6-2-3-7-18(16)25(20)13-12-24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,26)
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n/an/an/an/a 1.00E+5n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM54780
PNG
(4-chloranyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimida...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H21ClN4O/c21-16-9-7-15(8-10-16)19(26)23-20-22-17-5-1-2-6-18(17)25(20)14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,22,23,26)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061384
PNG
(CHEMBL3394001)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccn[nH]1
Show InChI InChI=1S/C17H20N6O/c24-16(14-7-8-18-21-14)20-17-19-13-5-1-2-6-15(13)23(17)12-11-22-9-3-4-10-22/h1-2,5-8H,3-4,9-12H2,(H,18,21)(H,19,20,24)
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n/an/an/an/a 1.44E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061386
PNG
(CHEMBL3393996)
Show SMILES CC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H22N4O2S/c1-14(25)17-8-9-18(27-17)19(26)22-20-21-15-6-2-3-7-16(15)24(20)13-12-23-10-4-5-11-23/h2-3,6-9H,4-5,10-13H2,1H3,(H,21,22,26)
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n/an/an/an/a 734n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061375
PNG
(CHEMBL3393993)
Show SMILES Cc1ccc(nc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H23N5O/c1-15-8-9-17(21-14-15)19(26)23-20-22-16-6-2-3-7-18(16)25(20)13-12-24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,26)
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n/an/an/an/a 70n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061376
PNG
(CHEMBL3393991)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H20Cl2N4O/c21-15-8-7-14(13-16(15)22)19(27)24-20-23-17-5-1-2-6-18(17)26(20)12-11-25-9-3-4-10-25/h1-2,5-8,13H,3-4,9-12H2,(H,23,24,27)
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n/an/an/an/a 7n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061397
PNG
(CHEMBL3393892)
Show SMILES OC(=O)COc1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C22H24N4O4/c27-20(28)15-30-17-7-5-6-16(14-17)21(29)24-22-23-18-8-1-2-9-19(18)26(22)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13,15H2,(H,27,28)(H,23,24,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061378
PNG
(CHEMBL3393881)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H21FN4O/c21-16-9-7-15(8-10-16)19(26)23-20-22-17-5-1-2-6-18(17)25(20)14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,22,23,26)
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n/an/an/an/a 2.40E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061373
PNG
(CHEMBL3393999)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21N5OS/c27-19(20-22-16-8-2-4-10-18(16)28-20)24-21-23-15-7-1-3-9-17(15)26(21)14-13-25-11-5-6-12-25/h1-4,7-10H,5-6,11-14H2,(H,23,24,27)
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n/an/an/an/a 1.00E+5n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061372
PNG
(CHEMBL3394000)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc[nH]1
Show InChI InChI=1S/C18H21N5O/c24-17(15-7-5-9-19-15)21-18-20-14-6-1-2-8-16(14)23(18)13-12-22-10-3-4-11-22/h1-2,5-9,19H,3-4,10-13H2,(H,20,21,24)
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n/an/an/an/a 6.80E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061371
PNG
(CHEMBL3394003)
Show SMILES CSc1c[nH]c(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C19H23N5OS/c1-26-14-12-16(20-13-14)18(25)22-19-21-15-6-2-3-7-17(15)24(19)11-10-23-8-4-5-9-23/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,21,22,25)
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n/an/an/an/a 255n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061578
PNG
(CHEMBL3393887)
Show SMILES COC(=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C22H24N4O3/c1-29-21(28)17-8-6-7-16(15-17)20(27)24-22-23-18-9-2-3-10-19(18)26(22)14-13-25-11-4-5-12-25/h2-3,6-10,15H,4-5,11-14H2,1H3,(H,23,24,27)
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n/an/an/an/a 4.25E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061369
PNG
(CHEMBL3394005)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H23N5O/c28-21(19-15-16-7-1-2-8-17(16)23-19)25-22-24-18-9-3-4-10-20(18)27(22)14-13-26-11-5-6-12-26/h1-4,7-10,15,23H,5-6,11-14H2,(H,24,25,28)
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n/an/an/an/a 2n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061374
PNG
(CHEMBL3393998)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C22H22N4OS/c27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h1-4,7-10,15H,5-6,11-14H2,(H,23,24,27)
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n/an/an/an/a 22n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061389
PNG
(CHEMBL3393992)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cnccn1
Show InChI InChI=1S/C18H20N6O/c25-17(15-13-19-7-8-20-15)22-18-21-14-5-1-2-6-16(14)24(18)12-11-23-9-3-4-10-23/h1-2,5-8,13H,3-4,9-12H2,(H,21,22,25)
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n/an/an/an/a 2.05E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061391
PNG
(CHEMBL3393989)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H22ClN5O3S/c21-15-8-7-14(13-18(15)30(22,28)29)19(27)24-20-23-16-5-1-2-6-17(16)26(20)12-11-25-9-3-4-10-25/h1-2,5-8,13H,3-4,9-12H2,(H2,22,28,29)(H,23,24,27)
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n/an/an/an/a 1.55E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061378
PNG
(CHEMBL3393881)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H21FN4O/c21-16-9-7-15(8-10-16)19(26)23-20-22-17-5-1-2-6-18(17)25(20)14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,22,23,26)
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n/an/an/an/a 33n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061377
PNG
(CHEMBL3393885)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H21N5O/c22-15-16-6-5-7-17(14-16)20(27)24-21-23-18-8-1-2-9-19(18)26(21)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13H2,(H,23,24,27)
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n/an/an/an/a 7.80E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061376
PNG
(CHEMBL3393991)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H20Cl2N4O/c21-15-8-7-14(13-16(15)22)19(27)24-20-23-17-5-1-2-6-18(17)26(20)12-11-25-9-3-4-10-25/h1-2,5-8,13H,3-4,9-12H2,(H,23,24,27)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061579
PNG
(CHEMBL3393886)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C22H24N4O3/c1-29-21(28)17-10-8-16(9-11-17)20(27)24-22-23-18-6-2-3-7-19(18)26(22)15-14-25-12-4-5-13-25/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,24,27)
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n/an/an/an/a 1.55E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061369
PNG
(CHEMBL3394005)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H23N5O/c28-21(19-15-16-7-1-2-8-17(16)23-19)25-22-24-18-9-3-4-10-20(18)27(22)14-13-26-11-5-6-12-26/h1-4,7-10,15,23H,5-6,11-14H2,(H,24,25,28)
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n/an/an/an/a 82n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061378
PNG
(CHEMBL3393881)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H21FN4O/c21-16-9-7-15(8-10-16)19(26)23-20-22-17-5-1-2-6-18(17)25(20)14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,22,23,26)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061381
PNG
(CHEMBL3394007)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1
Show InChI InChI=1S/C19H20ClN5O/c20-15-7-5-14(6-8-15)18(26)23-19-22-16-4-3-9-21-17(16)25(19)13-12-24-10-1-2-11-24/h3-9H,1-2,10-13H2,(H,22,23,26)
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n/an/an/an/a 37n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061392
PNG
(CHEMBL3393070)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C21H22N8O/c30-20(16-7-5-6-15(14-16)19-24-26-27-25-19)23-21-22-17-8-1-2-9-18(17)29(21)13-12-28-10-3-4-11-28/h1-2,5-9,14H,3-4,10-13H2,(H,22,23,30)(H,24,25,26,27)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061395
PNG
(CHEMBL3393893)
Show SMILES Oc1cc(F)ccc1C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H21FN4O2/c21-14-7-8-15(18(26)13-14)19(27)23-20-22-16-5-1-2-6-17(16)25(20)12-11-24-9-3-4-10-24/h1-2,5-8,13,26H,3-4,9-12H2,(H,22,23,27)
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n/an/an/an/a 118n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061398
PNG
(CHEMBL3393891)
Show SMILES CS(=O)(=O)Oc1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C21H24N4O4S/c1-30(27,28)29-17-8-6-7-16(15-17)20(26)23-21-22-18-9-2-3-10-19(18)25(21)14-13-24-11-4-5-12-24/h2-3,6-10,15H,4-5,11-14H2,1H3,(H,22,23,26)
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n/an/an/an/a 478n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM54780
PNG
(4-chloranyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimida...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H21ClN4O/c21-16-9-7-15(8-10-16)19(26)23-20-22-17-5-1-2-6-18(17)25(20)14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,22,23,26)
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n/an/an/an/a 6.10E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061379
PNG
(CHEMBL1488893)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C21H24N4O/c1-16-8-10-17(11-9-16)20(26)23-21-22-18-6-2-3-7-19(18)25(21)15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,23,26)
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n/an/an/an/a 3.90E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061577
PNG
(CHEMBL3393879)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCCN1CCCC1
Show InChI InChI=1S/C22H26N4O/c1-17-9-11-18(12-10-17)21(27)24-22-23-19-7-2-3-8-20(19)26(22)16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3,(H,23,24,27)
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n/an/an/an/a 878n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061377
PNG
(CHEMBL3393885)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H21N5O/c22-15-16-6-5-7-17(14-16)20(27)24-21-23-18-8-1-2-9-19(18)26(21)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13H2,(H,23,24,27)
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n/an/an/an/a 72n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54780
PNG
(4-chloranyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimida...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H21ClN4O/c21-16-9-7-15(8-10-16)19(26)23-20-22-17-5-1-2-6-18(17)25(20)14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,22,23,26)
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n/an/an/an/a 7n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50366356
PNG
(ASIMADOLINE HYDROCHLORIDE | EMD-61753)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061380
PNG
(CHEMBL3394008)
Show SMILES CS(=O)(=O)c1c[nH]c(c1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1
Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)13-11-15(20-12-13)17(25)22-18-21-14-5-4-6-19-16(14)24(18)10-9-23-7-2-3-8-23/h4-6,11-12,20H,2-3,7-10H2,1H3,(H,21,22,25)
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n/an/an/an/a 1.15E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061370
PNG
(CHEMBL3394004)
Show SMILES CS(=O)(=O)c1c[nH]c(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C19H23N5O3S/c1-28(26,27)14-12-16(20-13-14)18(25)22-19-21-15-6-2-3-7-17(15)24(19)11-10-23-8-4-5-9-23/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,21,22,25)
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n/an/an/an/a 72n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061376
PNG
(CHEMBL3393991)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H20Cl2N4O/c21-15-8-7-14(13-16(15)22)19(27)24-20-23-17-5-1-2-6-18(17)26(20)12-11-25-9-3-4-10-25/h1-2,5-8,13H,3-4,9-12H2,(H,23,24,27)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50366356
PNG
(ASIMADOLINE HYDROCHLORIDE | EMD-61753)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061403
PNG
(CHEMBL3393884)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccccc1C#N
Show InChI InChI=1S/C21H21N5O/c22-15-16-7-1-2-8-17(16)20(27)24-21-23-18-9-3-4-10-19(18)26(21)14-13-25-11-5-6-12-25/h1-4,7-10H,5-6,11-14H2,(H,23,24,27)
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n/an/an/an/a 1.23E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061370
PNG
(CHEMBL3394004)
Show SMILES CS(=O)(=O)c1c[nH]c(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C19H23N5O3S/c1-28(26,27)14-12-16(20-13-14)18(25)22-19-21-15-6-2-3-7-17(15)24(19)11-10-23-8-4-5-9-23/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,21,22,25)
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n/an/an/an/a 31n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061383
PNG
(CHEMBL3394002)
Show SMILES Cn1cccc1C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C19H23N5O/c1-22-10-6-9-17(22)18(25)21-19-20-15-7-2-3-8-16(15)24(19)14-13-23-11-4-5-12-23/h2-3,6-10H,4-5,11-14H2,1H3,(H,20,21,25)
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n/an/an/an/a 765n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061372
PNG
(CHEMBL3394000)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc[nH]1
Show InChI InChI=1S/C18H21N5O/c24-17(15-7-5-9-19-15)21-18-20-14-6-1-2-8-16(14)23(18)13-12-22-10-3-4-11-22/h1-2,5-9,19H,3-4,10-13H2,(H,20,21,24)
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n/an/an/an/a 8n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061388
PNG
(CHEMBL3393994)
Show SMILES Cc1ccc(cn1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H23N5O/c1-15-8-9-16(14-21-15)19(26)23-20-22-17-6-2-3-7-18(17)25(20)13-12-24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,26)
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n/an/an/an/a 152n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061394
PNG
(CHEMBL3393987)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H23N5O3S/c21-29(27,28)16-9-7-15(8-10-16)19(26)23-20-22-17-5-1-2-6-18(17)25(20)14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H2,21,27,28)(H,22,23,26)
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n/an/an/an/a 2.95E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061374
PNG
(CHEMBL3393998)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C22H22N4OS/c27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h1-4,7-10,15H,5-6,11-14H2,(H,23,24,27)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061369
PNG
(CHEMBL3394005)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H23N5O/c28-21(19-15-16-7-1-2-8-17(16)23-19)25-22-24-18-9-3-4-10-20(18)27(22)14-13-26-11-5-6-12-26/h1-4,7-10,15,23H,5-6,11-14H2,(H,24,25,28)
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n/an/an/an/a 150n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061380
PNG
(CHEMBL3394008)
Show SMILES CS(=O)(=O)c1c[nH]c(c1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1
Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)13-11-15(20-12-13)17(25)22-18-21-14-5-4-6-19-16(14)24(18)10-9-23-7-2-3-8-23/h4-6,11-12,20H,2-3,7-10H2,1H3,(H,21,22,25)
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n/an/an/an/a 3.45E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061573
PNG
(CHEMBL3393882)
Show SMILES Fc1ccccc1C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H21FN4O/c21-16-8-2-1-7-15(16)19(26)23-20-22-17-9-3-4-10-18(17)25(20)14-13-24-11-5-6-12-24/h1-4,7-10H,5-6,11-14H2,(H,22,23,26)
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n/an/an/an/a 423n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061576
PNG
(CHEMBL3393880)
Show SMILES O=C(Cc1ccccc1)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C21H24N4O/c26-20(16-17-8-2-1-3-9-17)23-21-22-18-10-4-5-11-19(18)25(21)15-14-24-12-6-7-13-24/h1-5,8-11H,6-7,12-16H2,(H,22,23,26)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061372
PNG
(CHEMBL3394000)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc[nH]1
Show InChI InChI=1S/C18H21N5O/c24-17(15-7-5-9-19-15)21-18-20-14-6-1-2-8-16(14)23(18)13-12-22-10-3-4-11-22/h1-2,5-9,19H,3-4,10-13H2,(H,20,21,24)
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n/an/an/an/a 2.80E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061374
PNG
(CHEMBL3393998)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C22H22N4OS/c27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h1-4,7-10,15H,5-6,11-14H2,(H,23,24,27)
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n/an/an/an/a 5.20E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061379
PNG
(CHEMBL1488893)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C21H24N4O/c1-16-8-10-17(11-9-16)20(26)23-21-22-18-6-2-3-7-19(18)25(21)15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,23,26)
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n/an/an/an/a 7.80E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061380
PNG
(CHEMBL3394008)
Show SMILES CS(=O)(=O)c1c[nH]c(c1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1
Show InChI InChI=1S/C18H22N6O3S/c1-28(26,27)13-11-15(20-12-13)17(25)22-18-21-14-5-4-6-19-16(14)24(18)10-9-23-7-2-3-8-23/h4-6,11-12,20H,2-3,7-10H2,1H3,(H,21,22,25)
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n/an/an/an/a 395n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061382
PNG
(CHEMBL3394006)
Show SMILES O[C@H]1CCN(CCn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc23)C1 |r|
Show InChI InChI=1/C20H21ClN4O2/c21-15-7-5-14(6-8-15)19(27)23-20-22-17-3-1-2-4-18(17)25(20)12-11-24-10-9-16(26)13-24/h1-8,16,26H,9-13H2,(H,22,23,27)/t16-/s2
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n/an/an/an/a 10n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061371
PNG
(CHEMBL3394003)
Show SMILES CSc1c[nH]c(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C19H23N5OS/c1-26-14-12-16(20-13-14)18(25)22-19-21-15-6-2-3-7-17(15)24(19)11-10-23-8-4-5-9-23/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,21,22,25)
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n/an/an/an/a 1n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061393
PNG
(CHEMBL3393988)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C20H23N5O3S/c21-29(27,28)16-7-5-6-15(14-16)19(26)23-20-22-17-8-1-2-9-18(17)25(20)13-12-24-10-3-4-11-24/h1-2,5-9,14H,3-4,10-13H2,(H2,21,27,28)(H,22,23,26)
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n/an/an/an/a 2.40E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50366356
PNG
(ASIMADOLINE HYDROCHLORIDE | EMD-61753)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1
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n/an/an/an/a 6.00E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061370
PNG
(CHEMBL3394004)
Show SMILES CS(=O)(=O)c1c[nH]c(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C19H23N5O3S/c1-28(26,27)14-12-16(20-13-14)18(25)22-19-21-15-6-2-3-7-17(15)24(19)11-10-23-8-4-5-9-23/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,21,22,25)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061381
PNG
(CHEMBL3394007)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1
Show InChI InChI=1S/C19H20ClN5O/c20-15-7-5-14(6-8-15)18(26)23-19-22-16-4-3-9-21-17(16)25(19)13-12-24-10-1-2-11-24/h3-9H,1-2,10-13H2,(H,22,23,26)
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n/an/an/an/a 5.25E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50061381
PNG
(CHEMBL3394007)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1
Show InChI InChI=1S/C19H20ClN5O/c20-15-7-5-14(6-8-15)18(26)23-19-22-16-4-3-9-21-17(16)25(19)13-12-24-10-1-2-11-24/h3-9H,1-2,10-13H2,(H,22,23,26)
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n/an/an/an/a 3.70E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061373
PNG
(CHEMBL3393999)
Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21N5OS/c27-19(20-22-16-8-2-4-10-18(16)28-20)24-21-23-15-7-1-3-9-17(15)26(21)14-13-25-11-5-6-12-25/h1-4,7-10H,5-6,11-14H2,(H,23,24,27)
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n/an/an/an/a 122n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061401
PNG
(CHEMBL3393889)
Show SMILES OC(=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C21H22N4O3/c26-19(15-6-5-7-16(14-15)20(27)28)23-21-22-17-8-1-2-9-18(17)25(21)13-12-24-10-3-4-11-24/h1-2,5-9,14H,3-4,10-13H2,(H,27,28)(H,22,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061402
PNG
(CHEMBL3393888)
Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C21H22N4O3/c26-19(15-7-9-16(10-8-15)20(27)28)23-21-22-17-5-1-2-6-18(17)25(21)14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,27,28)(H,22,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50061379
PNG
(CHEMBL1488893)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C21H24N4O/c1-16-8-10-17(11-9-16)20(26)23-21-22-18-6-2-3-7-19(18)25(21)15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,23,26)
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n/an/an/an/a 39n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50061382
PNG
(CHEMBL3394006)
Show SMILES O[C@H]1CCN(CCn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc23)C1 |r|
Show InChI InChI=1/C20H21ClN4O2/c21-15-7-5-14(6-8-15)19(27)23-20-22-17-3-1-2-4-18(17)25(20)12-11-24-10-9-16(26)13-24/h1-8,16,26H,9-13H2,(H,22,23,27)/t16-/s2
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n/an/an/an/a 1.75E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%