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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'perretta' and Initial = 'c'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/s2
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0.0530n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027039
PNG
(5''-Guanidinonaltrindole | 5''-Guanidinylnaltrindo...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214466
PNG
(CHEMBL398149 | N-(3-(8-cyano-4-(cyclopropylamino)p...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C17H16N8O/c1-10(26)20-13-3-2-4-14(7-13)21-16-23-15-11(8-18)9-19-25(15)17(24-16)22-12-5-6-12/h2-4,7,9,12H,5-6H2,1H3,(H,20,26)(H2,21,22,23,24)
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0.260n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214473
PNG
(CHEMBL230354 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZO...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27)
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0.350n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374656
PNG
(CHEMBL401544)
Show SMILES O=C(N1CCNCC1)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C27H29N9O2/c37-23-10-2-1-5-19-17-29-36-24(19)33-26(31-22-9-4-8-21(16-22)30-23)34-27(36)32-20-7-3-6-18(15-20)25(38)35-13-11-28-12-14-35/h3-4,6-9,15-17,28H,1-2,5,10-14H2,(H,30,37)(H2,31,32,33,34)
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0.800n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.960n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/s2
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1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374653
PNG
(CHEMBL271020)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C28H31N9O2/c1-35-12-14-36(15-13-35)26(39)19-7-4-8-21(16-19)32-28-34-27-31-23-10-5-9-22(17-23)30-24(38)11-3-2-6-20-18-29-37(28)25(20)33-27/h4-5,7-10,16-18H,2-3,6,11-15H2,1H3,(H,30,38)(H2,31,32,33,34)
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1.30n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374654
PNG
(CHEMBL271645)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C30H35N9O2/c1-37-15-13-25(14-16-37)38(2)28(41)20-8-5-9-22(17-20)34-30-36-29-33-24-11-6-10-23(18-24)32-26(40)12-4-3-7-21-19-31-39(30)27(21)35-29/h5-6,8-11,17-19,25H,3-4,7,12-16H2,1-2H3,(H,32,40)(H2,33,34,35,36)
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1.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374662
PNG
(CHEMBL256401)
Show SMILES CN(C)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:3.2|
Show InChI InChI=1S/C29H33N9O2/c1-36(2)24-13-14-37(18-24)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35)
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1.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214454
PNG
(CHEMBL230462 | N-(3-(8-cyano-4-(cyclobutylamino)py...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CCC3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C18H18N8O/c1-11(27)21-14-6-3-7-15(8-14)22-17-24-16-12(9-19)10-20-26(16)18(25-17)23-13-4-2-5-13/h3,6-8,10,13H,2,4-5H2,1H3,(H,21,27)(H2,22,23,24,25)
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1.90n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374658
PNG
(CHEMBL401614)
Show SMILES CN(C1CCN(C)C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:2.1|
Show InChI InChI=1S/C29H33N9O2/c1-36-14-13-24(18-36)37(2)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35)
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2n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374651
PNG
(CHEMBL257219)
Show SMILES CCN(CC)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:5.4|
Show InChI InChI=1S/C31H37N9O2/c1-3-38(4-2)26-15-16-39(20-26)29(42)21-10-7-11-23(17-21)35-31-37-30-34-25-13-8-12-24(18-25)33-27(41)14-6-5-9-22-19-32-40(31)28(22)36-30/h7-8,10-13,17-19,26H,3-6,9,14-16,20H2,1-2H3,(H,33,41)(H2,34,35,36,37)
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2.20n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374655
PNG
(CHEMBL401945)
Show SMILES CCN(CC)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C30H37N9O2/c1-4-38(5-2)17-16-37(3)28(41)21-11-8-12-23(18-21)34-30-36-29-33-25-14-9-13-24(19-25)32-26(40)15-7-6-10-22-20-31-39(30)27(22)35-29/h8-9,11-14,18-20H,4-7,10,15-17H2,1-3H3,(H,32,40)(H2,33,34,35,36)
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2.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374657
PNG
(CHEMBL257736)
Show SMILES CCN(CC)C1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C30H35N9O2/c1-3-37(4-2)25-18-38(19-25)28(41)20-10-7-11-22(15-20)34-30-36-29-33-24-13-8-12-23(16-24)32-26(40)14-6-5-9-21-17-31-39(30)27(21)35-29/h7-8,10-13,15-17,25H,3-6,9,14,18-19H2,1-2H3,(H,32,40)(H2,33,34,35,36)
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3.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374660
PNG
(CHEMBL256189)
Show SMILES OC1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C26H26N8O3/c35-21-14-33(15-21)24(37)16-6-3-7-18(11-16)30-26-32-25-29-20-9-4-8-19(12-20)28-22(36)10-2-1-5-17-13-27-34(26)23(17)31-25/h3-4,6-9,11-13,21,35H,1-2,5,10,14-15H2,(H,28,36)(H2,29,30,31,32)
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3.60n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374659
PNG
(CHEMBL402246)
Show SMILES CN(C)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C28H33N9O2/c1-35(2)14-15-36(3)26(39)19-9-6-10-21(16-19)32-28-34-27-31-23-12-7-11-22(17-23)30-24(38)13-5-4-8-20-18-29-37(28)25(20)33-27/h6-7,9-12,16-18H,4-5,8,13-15H2,1-3H3,(H,30,38)(H2,31,32,33,34)
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4n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214444
PNG
(2-(p-toluidino)-4-(phenylamino)pyrazolo[1,5-a][1,3...)
Show SMILES Cc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1
Show InChI InChI=1S/C19H15N7/c1-13-7-9-16(10-8-13)22-18-24-17-14(11-20)12-21-26(17)19(25-18)23-15-5-3-2-4-6-15/h2-10,12H,1H3,(H2,22,23,24,25)
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5n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214465
PNG
(2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,...)
Show SMILES Clc1ccc(CNc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1
Show InChI InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26)
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5n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374661
PNG
(CHEMBL402306)
Show SMILES CN(C)CCNC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C27H31N9O2/c1-35(2)14-13-28-25(38)18-8-5-9-20(15-18)32-27-34-26-31-22-11-6-10-21(16-22)30-23(37)12-4-3-7-19-17-29-36(27)24(19)33-26/h5-6,8-11,15-17H,3-4,7,12-14H2,1-2H3,(H,28,38)(H,30,37)(H2,31,32,33,34)
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5.20n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214477
PNG
(4-(phenylamino)-2-(4-(pyridin-2-yl)piperazin-1-yl)...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C21H19N9/c22-14-16-15-24-30-19(16)26-20(27-21(30)25-17-6-2-1-3-7-17)29-12-10-28(11-13-29)18-8-4-5-9-23-18/h1-9,15H,10-13H2,(H,25,26,27)
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7n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM50374652
PNG
(CHEMBL271848)
Show SMILES CN1CC(C1)NC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
Show InChI InChI=1S/C27H29N9O2/c1-35-15-22(16-35)30-25(38)17-7-4-8-19(12-17)32-27-34-26-31-21-10-5-9-20(13-21)29-23(37)11-3-2-6-18-14-28-36(27)24(18)33-26/h4-5,7-10,12-14,22H,2-3,6,11,15-16H2,1H3,(H,29,37)(H,30,38)(H2,31,32,33,34)
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7.40n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of corn CK2


Bioorg Med Chem Lett 18: 619-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214460
PNG
(2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(NCC3CCCCC3)nc12
Show InChI InChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25)
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8n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214474
PNG
(CHEMBL230353 | N-(3-(8-cyano-4-(phenethylamino)pyr...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(NCCc3ccccc3)n3ncc(C#N)c3n2)c1
Show InChI InChI=1S/C22H20N8O/c1-15(31)26-18-8-5-9-19(12-18)27-21-28-20-17(13-23)14-25-30(20)22(29-21)24-11-10-16-6-3-2-4-7-16/h2-9,12,14H,10-11H2,1H3,(H,26,31)(H2,24,27,28,29)
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8n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/s2
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8.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214448
PNG
(2-(3,4-dimethoxyphenylamino)-4-(phenylamino)pyrazo...)
Show SMILES COc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1OC
Show InChI InChI=1S/C20H17N7O2/c1-28-16-9-8-15(10-17(16)29-2)23-19-25-18-13(11-21)12-22-27(18)20(26-19)24-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H2,23,24,25,26)
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9n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130564
PNG
(7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25-,26+,28+/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214464
PNG
(CHEMBL230568 | N-(3-(8-methyl-4-(phenylamino)pyraz...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C)c3n2)c1
Show InChI InChI=1S/C20H19N7O/c1-13-12-21-27-18(13)25-19(26-20(27)24-15-7-4-3-5-8-15)23-17-10-6-9-16(11-17)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H2,23,24,25,26)
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11n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214450
PNG
(2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(phenylamino...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H17N7/c22-12-17-13-23-28-19(17)25-20(26-21(28)24-18-8-2-1-3-9-18)27-11-10-15-6-4-5-7-16(15)14-27/h1-9,13H,10-11,14H2,(H,24,25,26)
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11n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214457
PNG
(2-(2,3-dihydro-1H-inden-2-ylamino)-4-(phenylamino)...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(NC3Cc4ccccc4C3)nc12
Show InChI InChI=1S/C21H17N7/c22-12-16-13-23-28-19(16)26-20(27-21(28)25-17-8-2-1-3-9-17)24-18-10-14-6-4-5-7-15(14)11-18/h1-9,13,18H,10-11H2,(H2,24,25,26,27)
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12n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027038
PNG
(CHEMBL2112474)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
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13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214453
PNG
(2-(isopentylamino)-4-(phenylamino)pyrazolo[1,5-a][...)
Show SMILES CC(C)CCNc1nc(Nc2ccccc2)n2ncc(C#N)c2n1
Show InChI InChI=1S/C17H19N7/c1-12(2)8-9-19-16-22-15-13(10-18)11-20-24(15)17(23-16)21-14-6-4-3-5-7-14/h3-7,11-12H,8-9H2,1-2H3,(H2,19,21,22,23)
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13n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214468
PNG
(4-(phenylamino)-2-(pyrrolidin-1-yl)pyrazolo[1,5-a]...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCCC1
Show InChI InChI=1S/C16H15N7/c17-10-12-11-18-23-14(12)20-15(22-8-4-5-9-22)21-16(23)19-13-6-2-1-3-7-13/h1-3,6-7,11H,4-5,8-9H2,(H,19,20,21)
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14n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214446
PNG
(2,4-bis(phenylamino)pyrazolo[1,5-a][1,3,5]triazine...)
Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C18H13N7/c19-11-13-12-20-25-16(13)23-17(21-14-7-3-1-4-8-14)24-18(25)22-15-9-5-2-6-10-15/h1-10,12H,(H2,21,22,23,24)
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15n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027038
PNG
(CHEMBL2112474)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
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16n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027038
PNG
(CHEMBL2112474)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
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16n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50214443
PNG
(CHEMBL230673 | N-(3-(8-bromo-4-(cyclopropylamino)p...)
Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(Br)c3n2)c1
Show InChI InChI=1S/C16H16BrN7O/c1-9(25)19-11-3-2-4-12(7-11)20-15-22-14-13(17)8-18-24(14)16(23-15)21-10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,19,25)(H2,20,21,22,23)
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17n/an/an/an/an/an/an/an/a



Polaris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK2 alpha


Bioorg Med Chem Lett 17: 4191-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027048
PNG
(CHEMBL2112475)
Show SMILES CC(C)[C@@H](CN1CC[C@@](C)([C@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25-,26-,28+/m1/s1
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18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
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