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Patent code US8916577

Compile Data Set for Download or QSAR
Found 22 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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141338
PNG
(US8916577, 35)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C36H44N8O3/c1-6-22-10-8-11-23(7-2)30(22)40-35(46)32-27-13-9-12-25-21-37-36(41-31(25)33(27)44(4)42-32)39-28-15-14-24(20-29(28)47-5)34(45)38-26-16-18-43(3)19-17-26/h8,10-11,14-15,20-21,26H,6-7,9,12-13,16-19H2,1-5H3,(H,38,45)(H,40,46)(H,37,39,41)
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n/an/a 66n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141336
PNG
(US8916577, 99)
Show SMILES CCc1cccc(CC)c1NC(=O)c1noc-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C33H39N7O3/c1-5-21-9-7-10-22(6-2)28(21)36-32(41)30-25-12-8-11-23-20-34-33(37-29(23)31(25)43-38-30)35-26-14-13-24(19-27(26)42-4)40-17-15-39(3)16-18-40/h7,9-10,13-14,19-20H,5-6,8,11-12,15-18H2,1-4H3,(H,36,41)(H,34,35,37)
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n/an/a 134n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141340
PNG
(US8916577, 71)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(CCO)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C37H48N8O3/c1-6-24-10-8-11-25(7-2)32(24)40-36(47)34-29-13-9-12-26-23-38-37(41-33(26)35(29)45(42-34)20-21-46)39-30-15-14-28(22-31(30)48-5)44-18-16-27(17-19-44)43(3)4/h8,10-11,14-15,22-23,27,46H,6-7,9,12-13,16-21H2,1-5H3,(H,40,47)(H,38,39,41)
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n/an/a 174n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141331
PNG
(US8916577, 4)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C34H42N8O2/c1-6-22-10-8-11-23(7-2)29(22)37-33(43)31-26-13-9-12-24-21-35-34(38-30(24)32(26)41(4)39-31)36-27-15-14-25(20-28(27)44-5)42-18-16-40(3)17-19-42/h8,10-11,14-15,20-21H,6-7,9,12-13,16-19H2,1-5H3,(H,37,43)(H,35,36,38)
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n/an/a 184n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141333
PNG
(US8916577, 27)
Show SMILES CCc1cccc(C)c1NC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C33H40N8O2/c1-6-22-10-7-9-21(2)28(22)36-32(42)30-25-12-8-11-23-20-34-33(37-29(23)31(25)40(4)38-30)35-26-14-13-24(19-27(26)43-5)41-17-15-39(3)16-18-41/h7,9-10,13-14,19-20H,6,8,11-12,15-18H2,1-5H3,(H,36,42)(H,34,35,37)
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n/an/a 189n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141330
PNG
(US8916577, 3)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H30N8O2/c1-30-9-11-32(12-10-30)16-7-8-18(19(13-16)34-3)27-24-26-14-15-5-4-6-17-21(23(25)33)29-31(2)22(17)20(15)28-24/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,25,33)(H,26,27,28)
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n/an/a 194n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141339
PNG
(US8916577, 43)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C36H41F3N8O3/c1-5-22-10-7-11-23(6-2)29(22)42-33(48)31-26-13-8-12-25-21-40-35(43-30(25)32(26)46(4)44-31)41-27-15-14-24(20-28(27)50-36(37,38)39)34(49)47-17-9-16-45(3)18-19-47/h7,10-11,14-15,20-21H,5-6,8-9,12-13,16-19H2,1-4H3,(H,42,48)(H,40,41,43)
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n/an/a 199n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141334
PNG
(US8916577, 28)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(=O)NC1CCCCC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40N8O2/c1-36-14-16-38(17-15-36)22-12-13-24(25(18-22)40-3)33-30-31-19-20-8-7-11-23-27(35-37(2)28(23)26(20)34-30)29(39)32-21-9-5-4-6-10-21/h12-13,18-19,21H,4-11,14-17H2,1-3H3,(H,32,39)(H,31,33,34)
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n/an/a 249n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141329
PNG
(US8916577, 32)
Show SMILES CNC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(Br)cc3OC)nc-21
Show InChI InChI=1S/C20H21BrN6O2/c1-22-19(28)17-13-6-4-5-11-10-23-20(25-16(11)18(13)27(2)26-17)24-14-8-7-12(21)9-15(14)29-3/h7-10H,4-6H2,1-3H3,(H,22,28)(H,23,24,25)
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n/an/a 277n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141337
PNG
(US8916577, 101)
Show SMILES CCc1cccc(CC)c1NC(=O)c1onc-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C33H39N7O3/c1-5-21-9-7-10-22(6-2)28(21)36-32(41)31-25-12-8-11-23-20-34-33(37-29(23)30(25)38-43-31)35-26-14-13-24(19-27(26)42-4)40-17-15-39(3)16-18-40/h7,9-10,13-14,19-20H,5-6,8,11-12,15-18H2,1-4H3,(H,36,41)(H,34,35,37)
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n/an/a 308n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141332
PNG
(US8916577, 8)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(=O)Nc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C30H34N8O2/c1-36-14-16-38(17-15-36)22-12-13-24(25(18-22)40-3)33-30-31-19-20-8-7-11-23-27(35-37(2)28(23)26(20)34-30)29(39)32-21-9-5-4-6-10-21/h4-6,9-10,12-13,18-19H,7-8,11,14-17H2,1-3H3,(H,32,39)(H,31,33,34)
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Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141328
PNG
(US8916577, 1)
Show SMILES COc1cc(Br)ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C19H19BrN6O2/c1-26-17-12(16(25-26)18(21)27)5-3-4-10-9-22-19(24-15(10)17)23-13-7-6-11(20)8-14(13)28-2/h6-9H,3-5H2,1-2H3,(H2,21,27)(H,22,23,24)
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n/an/a 421n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141341
PNG
(US8916577, 5)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(=O)N[C@H](CN)c1ccccc1)C(=O)NC1CCN(C)CC1 |r|
Show InChI InChI=1S/C34H41N9O3/c1-42-16-14-24(15-17-42)37-32(44)22-12-13-26(28(18-22)46-3)39-34-36-20-23-10-7-11-25-30(41-43(2)31(25)29(23)40-34)33(45)38-27(19-35)21-8-5-4-6-9-21/h4-6,8-9,12-13,18,20,24,27H,7,10-11,14-17,19,35H2,1-3H3,(H,37,44)(H,38,45)(H,36,39,40)/t27-/m1/s1
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n/an/a 469n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM141341
PNG
(US8916577, 5)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(=O)N[C@H](CN)c1ccccc1)C(=O)NC1CCN(C)CC1 |r|
Show InChI InChI=1S/C34H41N9O3/c1-42-16-14-24(15-17-42)37-32(44)22-12-13-26(28(18-22)46-3)39-34-36-20-23-10-7-11-25-30(41-43(2)31(25)29(23)40-34)33(45)38-27(19-35)21-8-5-4-6-9-21/h4-6,8-9,12-13,18,20,24,27H,7,10-11,14-17,19,35H2,1-3H3,(H,37,44)(H,38,45)(H,36,39,40)/t27-/m1/s1
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n/an/a 497n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141335
PNG
(US8916577, 97)
Show SMILES CCc1cccc(CC)c1NC(=O)c1c2CCCc3cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc3-c2nn1C
Show InChI InChI=1S/C34H42N8O2/c1-6-22-10-8-11-23(7-2)29(22)37-33(43)32-26-13-9-12-24-21-35-34(38-30(24)31(26)39-41(32)4)36-27-15-14-25(20-28(27)44-5)42-18-16-40(3)17-19-42/h8,10-11,14-15,20-21H,6-7,9,12-13,16-19H2,1-5H3,(H,37,43)(H,35,36,38)
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n/an/a 853n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141327
PNG
(US8916577, 56)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(CC(F)(F)F)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H41F3N8O2/c1-5-22-9-7-10-23(6-2)29(22)41-33(47)31-26-12-8-11-24-20-39-34(42-30(24)32(26)46(43-31)21-35(36,37)38)40-27-14-13-25(19-28(27)48-4)45-17-15-44(3)16-18-45/h7,9-10,13-14,19-20H,5-6,8,11-12,15-18,21H2,1-4H3,(H,41,47)(H,39,40,42)
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n/an/a 862n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM141326
PNG
(US8916577, 67)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C23H28N8O/c1-29-10-12-31(13-11-29)17-8-6-16(7-9-17)26-23-25-14-15-4-3-5-18-20(22(24)32)28-30(2)21(18)19(15)27-23/h6-9,14H,3-5,10-13H2,1-2H3,(H2,24,32)(H,25,26,27)
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n/an/a 1.20E+3n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM141330
PNG
(US8916577, 3)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H30N8O2/c1-30-9-11-32(12-10-30)16-7-8-18(19(13-16)34-3)27-24-26-14-15-5-4-6-17-21(23(25)33)29-31(2)22(17)20(15)28-24/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,25,33)(H,26,27,28)
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UniProtKB/SwissProt

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n/an/a 1.32E+3n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM141326
PNG
(US8916577, 67)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C23H28N8O/c1-29-10-12-31(13-11-29)17-8-6-16(7-9-17)26-23-25-14-15-4-3-5-18-20(22(24)32)28-30(2)21(18)19(15)27-23/h6-9,14H,3-5,10-13H2,1-2H3,(H2,24,32)(H,25,26,27)
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n/an/a 2.45E+3n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM141326
PNG
(US8916577, 67)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C23H28N8O/c1-29-10-12-31(13-11-29)17-8-6-16(7-9-17)26-23-25-14-15-4-3-5-18-20(22(24)32)28-30(2)21(18)19(15)27-23/h6-9,14H,3-5,10-13H2,1-2H3,(H2,24,32)(H,25,26,27)
PDB
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KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem

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n/an/a 3.60E+3n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM141341
PNG
(US8916577, 5)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(=O)N[C@H](CN)c1ccccc1)C(=O)NC1CCN(C)CC1 |r|
Show InChI InChI=1S/C34H41N9O3/c1-42-16-14-24(15-17-42)37-32(44)22-12-13-26(28(18-22)46-3)39-34-36-20-23-10-7-11-25-30(41-43(2)31(25)29(23)40-34)33(45)38-27(19-35)21-8-5-4-6-9-21/h4-6,8-9,12-13,18,20,24,27H,7,10-11,14-17,19,35H2,1-3H3,(H,37,44)(H,38,45)(H,36,39,40)/t27-/m1/s1
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n/an/a 3.76E+3n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM141330
PNG
(US8916577, 3)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H30N8O2/c1-30-9-11-32(12-10-30)16-7-8-18(19(13-16)34-3)27-24-26-14-15-5-4-6-17-21(23(25)33)29-31(2)22(17)20(15)28-24/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,25,33)(H,26,27,28)
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UniProtKB/SwissProt

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n/an/a 5.91E+3n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%