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Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'higaki' and Initial = 'j'   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TACE

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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 5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP9

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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 7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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 21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP1

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Stromelysin-2


(Homo sapiens (Human))		BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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 190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP10

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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 660n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP14

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374977
PNG
(CHEMBL270849)
Show SMILES Clc1cccc(Nc2nccc(n2)-c2cccc(c2)N2CCNCC2)c1
Show InChI InChI=1S/C20H20ClN5/c21-16-4-2-5-17(14-16)24-20-23-8-7-19(25-20)15-3-1-6-18(13-15)26-11-9-22-10-12-26/h1-8,13-14,22H,9-12H2,(H,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned CaMK2delta

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375063
PNG
(CHEMBL255607)
Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Cl)cc23)c2ccccc12 |t:6|
Show InChI InChI=1S/C22H17ClN4O2/c23-13-5-6-17-15(9-13)16(10-25-17)19-20(22(29)26-21(19)28)27-11-12(7-8-24)14-3-1-2-4-18(14)27/h1-6,9-11,25H,7-8,24H2,(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374956
PNG
(CHEMBL272978)
Show SMILES NCCNc1cccc(c1)-c1ccnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5/c19-14-4-2-6-16(12-14)23-18-22-9-7-17(24-18)13-3-1-5-15(11-13)21-10-8-20/h1-7,9,11-12,21H,8,10,20H2,(H,22,23,24)
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n/an/a 12n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned CaMK2delta

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375073
PNG
(CHEMBL402340)
Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Cl)cc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H19ClN4O2/c1-25-9-8-13-12-28(19-5-3-2-4-15(13)19)21-20(22(29)27-23(21)30)17-11-26-18-7-6-14(24)10-16(17)18/h2-7,10-12,25-26H,8-9H2,1H3,(H,27,29,30)
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n/an/a 13n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50182409
PNG
((2R,3S)-N1-((S)-1-(3-(phenylamino)benzyl)-2-oxoaze...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C30H42N4O3/c1-4-11-25(28(31)35)26(18-21(2)3)29(36)33-27-16-8-9-17-34(30(27)37)20-22-12-10-15-24(19-22)32-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,32H,4,8-9,11,16-18,20H2,1-3H3,(H2,31,35)(H,33,36)/t25-,26+,27-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50410871
PNG
(CHEMBL208350)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(C)c3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H44N4O3/c1-5-10-26(29(32)36)27(17-21(2)3)30(37)34-28-15-6-7-16-35(31(28)38)20-23-12-9-14-25(19-23)33-24-13-8-11-22(4)18-24/h8-9,11-14,18-19,21,26-28,33H,5-7,10,15-17,20H2,1-4H3,(H2,32,36)(H,34,37)/t26-,27+,28-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50410864
PNG
(CHEMBL208504)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(F)c(Cl)c3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C30H40ClFN4O3/c1-4-8-23(28(33)37)24(15-19(2)3)29(38)35-27-11-5-6-14-36(30(27)39)18-20-9-7-10-21(16-20)34-22-12-13-26(32)25(31)17-22/h7,9-10,12-13,16-17,19,23-24,27,34H,4-6,8,11,14-15,18H2,1-3H3,(H2,33,37)(H,35,38)/t23-,24+,27-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375061
PNG
(CHEMBL271648)
Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C(=O)OC)c2ccccc12 |t:7|
Show InChI InChI=1S/C25H22N4O4/c1-26-10-9-15-13-29(20-6-4-3-5-16(15)20)22-21(23(30)28-24(22)31)18-12-27-19-8-7-14(11-17(18)19)25(32)33-2/h3-8,11-13,26-27H,9-10H2,1-2H3,(H,28,30,31)
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n/an/a 21n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50410859
PNG
(CHEMBL382880)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3Cl)c2)C1=O)C(N)=O
Show InChI InChI=1S/C30H41ClN4O3/c1-4-10-23(28(32)36)24(17-20(2)3)29(37)34-27-15-7-8-16-35(30(27)38)19-21-11-9-12-22(18-21)33-26-14-6-5-13-25(26)31/h5-6,9,11-14,18,20,23-24,27,33H,4,7-8,10,15-17,19H2,1-3H3,(H2,32,36)(H,34,37)/t23-,24+,27-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50410861
PNG
(CHEMBL424684)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(cc3)C(F)(F)F)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H41F3N4O3/c1-4-8-25(28(35)39)26(17-20(2)3)29(40)37-27-11-5-6-16-38(30(27)41)19-21-9-7-10-24(18-21)36-23-14-12-22(13-15-23)31(32,33)34/h7,9-10,12-15,18,20,25-27,36H,4-6,8,11,16-17,19H2,1-3H3,(H2,35,39)(H,37,40)/t25-,26+,27-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375062
PNG
(CHEMBL402533)
Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C(F)(F)F)c2ccccc12 |t:6|
Show InChI InChI=1S/C23H17F3N4O2/c24-23(25,26)13-5-6-17-15(9-13)16(10-28-17)19-20(22(32)29-21(19)31)30-11-12(7-8-27)14-3-1-2-4-18(14)30/h1-6,9-11,28H,7-8,27H2,(H,29,31,32)
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n/an/a 32n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374982
PNG
(CHEMBL403446)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Br)cc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H19BrN4O2/c24-13-6-7-18-15(10-13)16(11-26-18)20-21(23(30)27-22(20)29)17-12-28(9-3-8-25)19-5-2-1-4-14(17)19/h1-2,4-7,10-12,26H,3,8-9,25H2,(H,27,29,30)
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n/an/a 34n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2395-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.058
BindingDB Entry DOI: 10.7270/Q2QZ2BVW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374982
PNG
(CHEMBL403446)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Br)cc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H19BrN4O2/c24-13-6-7-18-15(10-13)16(11-26-18)20-21(23(30)27-22(20)29)17-12-28(9-3-8-25)19-5-2-1-4-14(17)19/h1-2,4-7,10-12,26H,3,8-9,25H2,(H,27,29,30)
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n/an/a 34n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2390-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.059
BindingDB Entry DOI: 10.7270/Q27W6D2W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375072
PNG
(CHEMBL403337)
Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(F)cc23)c2ccccc12 |t:6|
Show InChI InChI=1S/C22H17FN4O2/c23-13-5-6-17-15(9-13)16(10-25-17)19-20(22(29)26-21(19)28)27-11-12(7-8-24)14-3-1-2-4-18(14)27/h1-6,9-11,25H,7-8,24H2,(H,26,28,29)
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n/an/a 38n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374954
PNG
(CHEMBL271045)
Show SMILES OC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H12ClN3O2/c18-13-2-1-3-14(10-13)20-17-19-9-8-15(21-17)11-4-6-12(7-5-11)16(22)23/h1-10H,(H,22,23)(H,19,20,21)
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n/an/a 42n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned CaMK2delta

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375071
PNG
(CHEMBL270032)
Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C#N)c2ccccc12 |t:6|
Show InChI InChI=1S/C23H17N5O2/c24-8-7-14-12-28(19-4-2-1-3-15(14)19)21-20(22(29)27-23(21)30)17-11-26-18-6-5-13(10-25)9-16(17)18/h1-6,9,11-12,26H,7-8,24H2,(H,27,29,30)
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n/an/a 46n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50410860
PNG
(CHEMBL410532)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(OC)c3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H44N4O4/c1-5-10-26(29(32)36)27(17-21(2)3)30(37)34-28-15-6-7-16-35(31(28)38)20-22-11-8-12-23(18-22)33-24-13-9-14-25(19-24)39-4/h8-9,11-14,18-19,21,26-28,33H,5-7,10,15-17,20H2,1-4H3,(H2,32,36)(H,34,37)/t26-,27+,28-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374963
PNG
(CHEMBL402428)
Show SMILES OC(=O)c1ccc(cc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H13N3O2/c21-16(22)13-8-6-12(7-9-13)15-10-11-18-17(20-15)19-14-4-2-1-3-5-14/h1-11H,(H,21,22)(H,18,19,20)
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n/an/a 64n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned CaMK2delta

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374965
PNG
(CHEMBL255617)
Show SMILES Nc1cc(Nc2nccc(n2)-c2ccc(cc2)C(O)=O)ccn1
Show InChI InChI=1S/C16H13N5O2/c17-14-9-12(5-7-18-14)20-16-19-8-6-13(21-16)10-1-3-11(4-2-10)15(22)23/h1-9H,(H,22,23)(H3,17,18,19,20,21)
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n/an/a 66n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned CaMK2delta

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50410863
PNG
(CHEMBL208230)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(NN3CCCCC3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C29H47N5O3/c1-4-11-24(27(30)35)25(18-21(2)3)28(36)31-26-14-6-9-15-33(29(26)37)20-22-12-10-13-23(19-22)32-34-16-7-5-8-17-34/h10,12-13,19,21,24-26,32H,4-9,11,14-18,20H2,1-3H3,(H2,30,35)(H,31,36)/t24-,25+,26-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375070
PNG
(CHEMBL411724)
Show SMILES CCc1ccc2[nH]cc(C3=C(C(=O)NC3=O)n3cc(CCNC)c4ccccc34)c2c1 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-3-15-8-9-20-18(12-15)19(13-27-20)22-23(25(31)28-24(22)30)29-14-16(10-11-26-2)17-6-4-5-7-21(17)29/h4-9,12-14,26-27H,3,10-11H2,1-2H3,(H,28,30,31)
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n/an/a 110n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374956
PNG
(CHEMBL272978)
Show SMILES NCCNc1cccc(c1)-c1ccnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5/c19-14-4-2-6-16(12-14)23-18-22-9-7-17(24-18)13-3-1-5-15(11-13)21-10-8-20/h1-7,9,11-12,21H,8,10,20H2,(H,22,23,24)
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n/an/a 110n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta-mediated vimentin phosphorylation in human HL2 cells after 1 hr by ELISA

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375077
PNG
(CHEMBL430412)
Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:6|
Show InChI InChI=1S/C22H18N4O2/c23-10-9-13-12-26(18-8-4-2-5-14(13)18)20-19(21(27)25-22(20)28)16-11-24-17-7-3-1-6-15(16)17/h1-8,11-12,24H,9-10,23H2,(H,25,27,28)
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n/an/a 110n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375064
PNG
(CHEMBL402152)
Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H20N4O2/c1-24-11-10-14-13-27(19-9-5-3-6-15(14)19)21-20(22(28)26-23(21)29)17-12-25-18-8-4-2-7-16(17)18/h2-9,12-13,24-25H,10-11H2,1H3,(H,26,28,29)
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n/an/a 150n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50410868
PNG
(CHEMBL205970)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc4OCOc4c3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H42N4O5/c1-4-8-24(29(32)36)25(15-20(2)3)30(37)34-26-11-5-6-14-35(31(26)38)18-21-9-7-10-22(16-21)33-23-12-13-27-28(17-23)40-19-39-27/h7,9-10,12-13,16-17,20,24-26,33H,4-6,8,11,14-15,18-19H2,1-3H3,(H2,32,36)(H,34,37)/t24-,25+,26-/m0/s1
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n/an/a 152n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50410867
PNG
(CHEMBL274414)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(OC)cc3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H44N4O4/c1-5-9-26(29(32)36)27(18-21(2)3)30(37)34-28-12-6-7-17-35(31(28)38)20-22-10-8-11-24(19-22)33-23-13-15-25(39-4)16-14-23/h8,10-11,13-16,19,21,26-28,33H,5-7,9,12,17-18,20H2,1-4H3,(H2,32,36)(H,34,37)/t26-,27+,28-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374966
PNG
(CHEMBL402524)
Show SMILES C[C@H](Nc1cc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NO)ccn1)c1ccccc1
Show InChI InChI=1S/C24H22N6O2/c1-16(17-5-3-2-4-6-17)27-22-15-20(11-13-25-22)28-24-26-14-12-21(29-24)18-7-9-19(10-8-18)23(31)30-32/h2-16,32H,1H3,(H,30,31)(H2,25,26,27,28,29)/t16-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned CaMK2delta

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375069
PNG
(CHEMBL271426)
Show SMILES COc1ccc2[nH]cc(C3=C(C(=O)NC3=O)n3cc(CCN)c4ccccc34)c2c1 |t:9|
Show InChI InChI=1S/C23H20N4O3/c1-30-14-6-7-18-16(10-14)17(11-25-18)20-21(23(29)26-22(20)28)27-12-13(8-9-24)15-4-2-3-5-19(15)27/h2-7,10-12,25H,8-9,24H2,1H3,(H,26,28,29)
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n/an/a 170n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374989
PNG
(CHEMBL412302)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2cccc(Br)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C21H18BrN3O2/c22-14-6-3-5-13(11-14)18-19(21(27)24-20(18)26)16-12-25(10-4-9-23)17-8-2-1-7-15(16)17/h1-3,5-8,11-12H,4,9-10,23H2,(H,24,26,27)
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n/an/a 180n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2390-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.059
BindingDB Entry DOI: 10.7270/Q27W6D2W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374989
PNG
(CHEMBL412302)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2cccc(Br)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C21H18BrN3O2/c22-14-6-3-5-13(11-14)18-19(21(27)24-20(18)26)16-12-25(10-4-9-23)17-8-2-1-7-15(16)17/h1-3,5-8,11-12H,4,9-10,23H2,(H,24,26,27)
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n/an/a 180n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2395-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.058
BindingDB Entry DOI: 10.7270/Q2QZ2BVW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375067
PNG
(CHEMBL271043)
Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C(N)=O)c2ccccc12 |t:7|
Show InChI InChI=1S/C24H21N5O3/c1-26-9-8-14-12-29(19-5-3-2-4-15(14)19)21-20(23(31)28-24(21)32)17-11-27-18-7-6-13(22(25)30)10-16(17)18/h2-7,10-12,26-27H,8-9H2,1H3,(H2,25,30)(H,28,31,32)
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n/an/a 190n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375080
PNG
(CHEMBL270141)
Show SMILES NCCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H20N4O2/c24-11-5-6-14-13-27(19-10-4-2-7-15(14)19)21-20(22(28)26-23(21)29)17-12-25-18-9-3-1-8-16(17)18/h1-4,7-10,12-13,25H,5-6,11,24H2,(H,26,28,29)
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n/an/a 190n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374972
PNG
(CHEMBL403766)
Show SMILES C[C@H](Nc1cc(Nc2nccc(n2)-c2ccc(cc2)C(O)=O)ccn1)c1ccccc1
Show InChI InChI=1S/C24H21N5O2/c1-16(17-5-3-2-4-6-17)27-22-15-20(11-13-25-22)28-24-26-14-12-21(29-24)18-7-9-19(10-8-18)23(30)31/h2-16H,1H3,(H,30,31)(H2,25,26,27,28,29)/t16-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned CaMK2delta

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374997
PNG
(CHEMBL256827)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2)c2ccccc12 |t:7|
Show InChI InChI=1S/C21H19N3O2/c22-11-6-12-24-13-16(15-9-4-5-10-17(15)24)19-18(20(25)23-21(19)26)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12,22H2,(H,23,25,26)
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n/an/a 230n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta using 3 weeks old stock solution of compound

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374952
PNG
(CHEMBL403054)
Show SMILES Clc1cccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)c1
Show InChI InChI=1S/C20H19ClN4O/c21-16-4-2-5-17(14-16)23-20-22-8-7-19(24-20)15-3-1-6-18(13-15)25-9-11-26-12-10-25/h1-8,13-14H,9-12H2,(H,22,23,24)
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n/an/a 240n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned CaMK2delta

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375066
PNG
(CHEMBL256460)
Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C(=O)NC)c2ccccc12 |t:7|
Show InChI InChI=1S/C25H23N5O3/c1-26-10-9-15-13-30(20-6-4-3-5-16(15)20)22-21(24(32)29-25(22)33)18-12-28-19-8-7-14(11-17(18)19)23(31)27-2/h3-8,11-13,26,28H,9-10H2,1-2H3,(H,27,31)(H,29,32,33)
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n/an/a 280n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374988
PNG
(CHEMBL408434)
Show SMILES Cc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(CCCN)c2ccccc12 |t:8|
Show InChI InChI=1S/C22H21N3O2/c1-14-6-4-7-15(12-14)19-20(22(27)24-21(19)26)17-13-25(11-5-10-23)18-9-3-2-8-16(17)18/h2-4,6-9,12-13H,5,10-11,23H2,1H3,(H,24,26,27)
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n/an/a 280n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2390-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.059
BindingDB Entry DOI: 10.7270/Q27W6D2W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50374960
PNG
(CHEMBL255633)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H14N4O2/c22-16(21-23)13-8-6-12(7-9-13)15-10-11-18-17(20-15)19-14-4-2-1-3-5-14/h1-11,23H,(H,21,22)(H,18,19,20)
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n/an/a 290n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned CaMK2delta

Bioorg Med Chem Lett 18: 2404-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375001
PNG
(CHEMBL411253)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C25H21N3O2/c26-13-6-14-28-15-20(18-10-3-4-12-21(18)28)23-22(24(29)27-25(23)30)19-11-5-8-16-7-1-2-9-17(16)19/h1-5,7-12,15H,6,13-14,26H2,(H,27,29,30)
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n/an/a 290n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2390-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.059
BindingDB Entry DOI: 10.7270/Q27W6D2W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM50375054
PNG
(CHEMBL409856)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCCNC3)c3ccccc23)c2ccccc12 |w:14.14,t:4|
Show InChI InChI=1S/C26H24N4O2/c1-29-14-19(17-8-2-4-10-21(17)29)23-24(26(32)28-25(23)31)20-15-30(16-7-6-12-27-13-16)22-11-5-3-9-18(20)22/h2-5,8-11,14-16,27H,6-7,12-13H2,1H3,(H,28,31,32)
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n/an/a 300n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2395-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.058
BindingDB Entry DOI: 10.7270/Q2QZ2BVW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))		BDBM2695
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
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n/an/a 310n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta

Bioorg Med Chem Lett 18: 2395-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.058
BindingDB Entry DOI: 10.7270/Q2QZ2BVW
More data for this
Ligand-Target Pair
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