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Compile Data Set for Download or QSAR

Found 349 hits Enz. Inhib. hit(s) with all data for entry = 2041   
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
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351117
PNG
(US9796700, Compound I-212)
Show SMILES Cc1cc(F)ccc1Nc1ncc(Cl)c(Nc2ccc(F)cc2NC(=O)C=C)n1
Show InChI InChI=1S/C20H16ClF2N5O/c1-3-18(29)25-17-9-13(23)5-7-16(17)26-19-14(21)10-24-20(28-19)27-15-6-4-12(22)8-11(15)2/h3-10H,1H2,2H3,(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351119
PNG
(US9796700, Compound I-214)
Show SMILES Cc1cc(F)c(cc1Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1)C(N)=O
Show InChI InChI=1S/C21H18ClFN6O2/c1-3-18(30)26-15-6-4-5-7-16(15)27-20-13(22)10-25-21(29-20)28-17-9-12(19(24)31)14(23)8-11(17)2/h3-10H,1H2,2H3,(H2,24,31)(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351126
PNG
(US9796700, Compound I-221)
Show SMILES Fc1ccc(Nc2nc(Nc3ccc(F)cc3C#N)ncc2Cl)c(NC(=O)C=C)c1
Show InChI InChI=1S/C20H13ClF2N6O/c1-2-18(30)26-17-8-13(23)4-6-16(17)27-19-14(21)10-25-20(29-19)28-15-5-3-12(22)7-11(15)9-24/h2-8,10H,1H2,(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351133
PNG
(US9796700, Compound I-228)
Show SMILES Cc1cc(OCC#C)c(cc1Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1)C(N)=O
Show InChI InChI=1S/C24H21ClN6O3/c1-4-10-34-20-11-14(3)19(12-15(20)22(26)33)30-24-27-13-16(25)23(31-24)29-18-9-7-6-8-17(18)28-21(32)5-2/h1,5-9,11-13H,2,10H2,3H3,(H2,26,33)(H,28,32)(H2,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351134
PNG
(US9796700, Compound I-229)
Show SMILES Cc1ccc(Nc2nc(Nc3cc(ccc3C)C(N)=O)ncc2Cl)c(NC(=O)C=C)c1
Show InChI InChI=1S/C22H21ClN6O2/c1-4-19(30)26-18-9-12(2)5-8-16(18)27-21-15(23)11-25-22(29-21)28-17-10-14(20(24)31)7-6-13(17)3/h4-11H,1H2,2-3H3,(H2,24,31)(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351142
PNG
(US9796700, Compound I-237)
Show SMILES COc1ccc(Nc2nc(Nc3cc(ccc3C)C(N)=O)ncc2Cl)c(NC(=O)C=C)c1
Show InChI InChI=1S/C22H21ClN6O3/c1-4-19(30)26-18-10-14(32-3)7-8-16(18)27-21-15(23)11-25-22(29-21)28-17-9-13(20(24)31)6-5-12(17)2/h4-11H,1H2,2-3H3,(H2,24,31)(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351145
PNG
(US9796700, Compound I-240)
Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)c(C)cn1
Show InChI InChI=1S/C20H19ClN6O2/c1-4-17(28)24-14-7-5-6-8-15(14)25-19-13(21)11-23-20(27-19)26-16-9-18(29-3)22-10-12(16)2/h4-11H,1H2,2-3H3,(H,24,28)(H2,22,23,25,26,27)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351146
PNG
(US9796700, Compound I-241)
Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccc(C)cc3NC(=O)C=C)n2)c(C)cn1
Show InChI InChI=1S/C21H21ClN6O2/c1-5-18(29)25-17-8-12(2)6-7-15(17)26-20-14(22)11-24-21(28-20)27-16-9-19(30-4)23-10-13(16)3/h5-11H,1H2,2-4H3,(H,25,29)(H2,23,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351147
PNG
(US9796700, Compound I-242)
Show SMILES COc1ccc(Nc2nc(Nc3cc(OC)ncc3C)ncc2Cl)c(NC(=O)C=C)c1
Show InChI InChI=1S/C21H21ClN6O3/c1-5-18(29)25-17-8-13(30-3)6-7-15(17)26-20-14(22)11-24-21(28-20)27-16-9-19(31-4)23-10-12(16)2/h5-11H,1H2,2-4H3,(H,25,29)(H2,23,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351148
PNG
(US9796700, Compound I-243)
Show SMILES CC(=C)S(=O)(=O)Nc1cc(F)ccc1Nc1nc(Nc2cc(ccc2C)C(C)=O)ncc1Cl
Show InChI InChI=1S/C22H21ClFN5O3S/c1-12(2)33(31,32)29-20-10-16(24)7-8-18(20)26-21-17(23)11-25-22(28-21)27-19-9-15(14(4)30)6-5-13(19)3/h5-11,29H,1H2,2-4H3,(H2,25,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351153
PNG
(US9796700, Compound I-248)
Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3NC(=O)C=C)n2)c(C)cn1
Show InChI InChI=1S/C20H18Cl2N6O2/c1-4-17(29)25-16-7-12(21)5-6-14(16)26-19-13(22)10-24-20(28-19)27-15-8-18(30-3)23-9-11(15)2/h4-10H,1H2,2-3H3,(H,25,29)(H2,23,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351157
PNG
(US9796700, Compound I-258)
Show SMILES COc1cc(ccc1Nc1ncc(C(N)=O)c(Oc2ccccc2NC(=O)C=C)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H29N7O5/c1-4-24(36)30-20-7-5-6-8-22(20)39-26-19(25(28)37)16-29-27(32-26)31-21-10-9-18(15-23(21)38-3)34-13-11-33(12-14-34)17(2)35/h4-10,15-16H,1,11-14H2,2-3H3,(H2,28,37)(H,30,36)(H,29,31,32)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351184
PNG
(US9796700, Compound I-281)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(n1)N1CCCC1
Show InChI InChI=1S/C24H24F3N7O2/c1-3-20(35)30-17-8-4-5-9-18(17)31-22-16(24(25,26)27)14-28-23(33-22)29-15-12-19(32-21(13-15)36-2)34-10-6-7-11-34/h3-5,8-9,12-14H,1,6-7,10-11H2,2H3,(H,30,35)(H2,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351186
PNG
(US9796700, Compound I-283)
Show SMILES COCCOc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(OC)n1
Show InChI InChI=1S/C23H23F3N6O4/c1-4-18(33)29-16-7-5-6-8-17(16)30-21-15(23(24,25)26)13-27-22(32-21)28-14-11-19(35-3)31-20(12-14)36-10-9-34-2/h4-8,11-13H,1,9-10H2,2-3H3,(H,29,33)(H2,27,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351187
PNG
(US9796700, Compound I-284)
Show SMILES COc1ccc(Nc2nc(Nc3cc(OC)ncc3C)ncc2C(F)(F)F)c(NC(=O)C=C)c1
Show InChI InChI=1S/C22H21F3N6O3/c1-5-18(32)28-17-8-13(33-3)6-7-15(17)29-20-14(22(23,24)25)11-27-21(31-20)30-16-9-19(34-4)26-10-12(16)2/h5-11H,1H2,2-4H3,(H,28,32)(H2,26,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351192
PNG
(US9796700, Compound I-289)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccc(Cl)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1
Show InChI InChI=1S/C21H18ClF3N6O2/c1-4-17(32)28-16-7-12(22)5-6-14(16)29-19-13(21(23,24)25)10-27-20(31-19)30-15-8-18(33-3)26-9-11(15)2/h4-10H,1H2,2-3H3,(H,28,32)(H2,26,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351199
PNG
(US9796700, Compound I-296)
Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccc(C)cc3NC(=O)C=C)n2)cc(n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H29ClN8O3/c1-5-23(37)30-21-12-16(2)6-7-20(21)31-25-19(27)15-28-26(33-25)29-18-13-22(32-24(14-18)38-4)35-10-8-34(9-11-35)17(3)36/h5-7,12-15H,1,8-11H2,2-4H3,(H,30,37)(H2,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351200
PNG
(US9796700, Compound I-297)
Show SMILES COc1ccc(Nc2nc(Nc3cc(OC)nc(c3)N3CCN(CC3)C(C)=O)ncc2Cl)c(NC(=O)C=C)c1
Show InChI InChI=1S/C26H29ClN8O4/c1-5-23(37)30-21-14-18(38-3)6-7-20(21)31-25-19(27)15-28-26(33-25)29-17-12-22(32-24(13-17)39-4)35-10-8-34(9-11-35)16(2)36/h5-7,12-15H,1,8-11H2,2-4H3,(H,30,37)(H2,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351203
PNG
(US9796700, Compound I-319)
Show SMILES Cc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1)C(N)=O
Show InChI InChI=1S/C21H19ClN6O2/c1-3-18(29)25-15-6-4-5-7-16(15)26-20-14(22)11-24-21(28-20)27-17-10-13(19(23)30)9-8-12(17)2/h3-11H,1H2,2H3,(H2,23,30)(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351205
PNG
(US9796700, Compound I-314)
Show SMILES CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc3N(CCCN)C(=O)CCCc3c2)ncc1Cl
Show InChI InChI=1S/C26H30ClN7O2/c1-2-23(35)31-20-8-3-4-9-21(20)32-25-19(27)16-29-26(33-25)30-18-11-12-22-17(15-18)7-5-10-24(36)34(22)14-6-13-28/h3-4,8-9,11-12,15-16H,2,5-7,10,13-14,28H2,1H3,(H,31,35)(H2,29,30,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351208
PNG
(US9796700, Compound I-317)
Show SMILES CCC(=O)Nc1ccccc1Nc1nc(N[C@H]2CCCN(C2)C(C)=O)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C21H25F3N6O2/c1-3-18(32)27-16-8-4-5-9-17(16)28-19-15(21(22,23)24)11-25-20(29-19)26-14-7-6-10-30(12-14)13(2)31/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3,(H,27,32)(H2,25,26,28,29)/t14-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351209
PNG
(US9796700, Compound I-318)
Show SMILES CCC(=O)Nc1ccccc1Nc1nc(N[C@H]2CCCN(C2)C(=O)CO)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C21H25F3N6O3/c1-2-17(32)27-15-7-3-4-8-16(15)28-19-14(21(22,23)24)10-25-20(29-19)26-13-6-5-9-30(11-13)18(33)12-31/h3-4,7-8,10,13,31H,2,5-6,9,11-12H2,1H3,(H,27,32)(H2,25,26,28,29)/t13-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351211
PNG
(US9796700, Compound I-322)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccc(F)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1
Show InChI InChI=1S/C21H18F4N6O2/c1-4-17(32)28-16-7-12(22)5-6-14(16)29-19-13(21(23,24)25)10-27-20(31-19)30-15-8-18(33-3)26-9-11(15)2/h4-10H,1H2,2-3H3,(H,28,32)(H2,26,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351213
PNG
(US9796700, Compound I-324)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27F3N8O2/c1-4-21(37)31-18-7-5-6-8-19(18)32-23-17(25(26,27)28)15-29-24(34-23)30-16-13-20(33-22(14-16)38-3)36-11-9-35(2)10-12-36/h4-8,13-15H,1,9-12H2,2-3H3,(H,31,37)(H2,29,30,32,33,34)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351217
PNG
(US9796700, Compound I-328)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)cc(n1)N1CC(O)C1
Show InChI InChI=1S/C24H24F3N7O3/c1-4-20(36)30-18-7-13(2)5-6-17(18)31-22-16(24(25,26)27)10-28-23(33-22)29-14-8-19(32-21(9-14)37-3)34-11-15(35)12-34/h4-10,15,35H,1,11-12H2,2-3H3,(H,30,36)(H2,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351223
PNG
(US9796700, Compound I-334)
Show SMILES COc1ccc(Nc2nc(Nc3cc(OC)nc(c3)N3CCN(C)CC3)ncc2C(F)(F)F)c(NC(=O)C=C)c1
Show InChI InChI=1S/C26H29F3N8O3/c1-5-22(38)32-20-14-17(39-3)6-7-19(20)33-24-18(26(27,28)29)15-30-25(35-24)31-16-12-21(34-23(13-16)40-4)37-10-8-36(2)9-11-37/h5-7,12-15H,1,8-11H2,2-4H3,(H,32,38)(H2,30,31,33,34,35)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351233
PNG
(US9796700, Compound I-344)
Show SMILES COc1ncc(Cl)c(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)n1
Show InChI InChI=1S/C20H17ClF3N7O2/c1-4-15(32)27-14-7-10(2)5-6-13(14)28-16-11(20(22,23)24)8-25-18(29-16)30-17-12(21)9-26-19(31-17)33-3/h4-9H,1H2,2-3H3,(H,27,32)(H2,25,26,28,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351250
PNG
(US9796700, Compound I-361)
Show SMILES COc1cnc(Cl)c(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)c1
Show InChI InChI=1S/C21H18ClF3N6O2/c1-4-17(32)28-15-7-11(2)5-6-14(15)29-19-13(21(23,24)25)10-27-20(31-19)30-16-8-12(33-3)9-26-18(16)22/h4-10H,1H2,2-3H3,(H,28,32)(H2,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351253
PNG
(US9796700, Compound I-364)
Show SMILES Cc1ccc(Nc2nc(Nc3nc(O)ncc3C)ncc2C(F)(F)F)c(NC(=O)C=C)c1
Show InChI InChI=1S/C20H18F3N7O2/c1-4-15(31)26-14-7-10(2)5-6-13(14)27-17-12(20(21,22)23)9-24-18(29-17)28-16-11(3)8-25-19(32)30-16/h4-9H,1H2,2-3H3,(H,26,31)(H3,24,25,27,28,29,30,32)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350923
PNG
(US9796700, Compound I-17)
Show SMILES COC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N6O3/c1-3-17(31)27-15-8-4-5-9-16(15)28-18-14(21(22,23)24)11-25-19(29-18)26-13-7-6-10-30(12-13)20(32)33-2/h3-5,8-9,11,13H,1,6-7,10,12H2,2H3,(H,27,31)(H2,25,26,28,29)/t13-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350946
PNG
(US9796700, Compound I-36)
Show SMILES OCC(=O)N1CCC[C@@H](C1)Nc1ncc(c(N[C@@H]2CCCC[C@H]2NS(=O)(=O)C=C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H29F3N6O4S/c1-2-34(32,33)28-16-8-4-3-7-15(16)26-18-14(20(21,22)23)10-24-19(27-18)25-13-6-5-9-29(11-13)17(31)12-30/h2,10,13,15-16,28,30H,1,3-9,11-12H2,(H2,24,25,26,27)/t13-,15+,16+/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350964
PNG
(US9796700, Compound I-53)
Show SMILES CC(=C)S(=O)(=O)Nc1cc(C)ccc1Nc1nc(NC2CCC(=O)CC2)ncc1C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-12(2)33(31,32)29-18-10-13(3)4-9-17(18)27-19-16(21(22,23)24)11-25-20(28-19)26-14-5-7-15(30)8-6-14/h4,9-11,14,29H,1,5-8H2,2-3H3,(H2,25,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350998
PNG
(US9796700, Compound I-88)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(c(Nc3ccc(OC)cc3NC(=O)C=C)n2)C(F)(F)F)cc(OC)n1
Show InChI InChI=1S/C27H31F3N8O3/c1-5-23(39)33-21-15-18(40-3)7-8-20(21)34-25-19(27(28,29)30)16-31-26(36-25)32-17-13-22(35-24(14-17)41-4)38-11-9-37(6-2)10-12-38/h5,7-8,13-16H,1,6,9-12H2,2-4H3,(H,33,39)(H2,31,32,34,35,36)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351008
PNG
(US9796700, Compound I-98)
Show SMILES CC(=O)c1ccc(C)c(Nc2ncc(c(Nc3ccc(C)cc3NS(=O)(=O)C(C)=C)n2)C(F)(F)F)c1
Show InChI InChI=1S/C24H24F3N5O3S/c1-13(2)36(34,35)32-21-10-14(3)6-9-19(21)29-22-18(24(25,26)27)12-28-23(31-22)30-20-11-17(16(5)33)8-7-15(20)4/h6-12,32H,1H2,2-5H3,(H2,28,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351111
PNG
(US9796700, Compound I-206)
Show SMILES Cc1ccc(cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2NC(=O)C=C)n1)C(N)=O
Show InChI InChI=1S/C21H18ClFN6O2/c1-3-18(30)26-17-9-13(23)6-7-15(17)27-20-14(22)10-25-21(29-20)28-16-8-12(19(24)31)5-4-11(16)2/h3-10H,1H2,2H3,(H2,24,31)(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351194
PNG
(US9796700, Compound I-291)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(n1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C24H24F3N7O4S/c1-3-20(35)30-17-6-4-5-7-18(17)31-22-16(24(25,26)27)14-28-23(33-22)29-15-12-19(32-21(13-15)38-2)34-8-10-39(36,37)11-9-34/h3-7,12-14H,1,8-11H2,2H3,(H,30,35)(H2,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351189
PNG
(US9796700, Compound I-286)
Show SMILES COCCNc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(OC)n1
Show InChI InChI=1S/C23H24F3N7O3/c1-4-19(34)30-16-7-5-6-8-17(16)31-21-15(23(24,25)26)13-28-22(33-21)29-14-11-18(27-9-10-35-2)32-20(12-14)36-3/h4-8,11-13H,1,9-10H2,2-3H3,(H,30,34)(H3,27,28,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM351195
PNG
(US9796700, Compound I-292)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)C(F)(F)F)cc(NC2CCC(O)CC2)n1 |(1.59,2.21,;.25,1.44,;.25,-.1,;-1.08,-.87,;-1.08,-2.41,;-2.41,-3.18,;-3.75,-2.41,;-5.08,-3.18,;-6.41,-2.41,;-6.41,-.87,;-5.08,-.1,;-5.08,1.44,;-3.75,2.21,;-2.41,1.44,;-1.08,2.21,;-1.08,3.75,;-2.41,4.52,;-3.75,3.75,;-5.08,4.52,;-6.41,3.75,;-6.41,2.21,;-7.75,4.52,;-9.08,3.75,;-3.75,-.87,;-7.75,-.1,;-7.75,1.44,;-9.08,-.87,;-9.08,.67,;.25,-3.18,;1.59,-2.41,;2.92,-3.18,;4.46,-3.18,;5.23,-4.52,;6.77,-4.52,;7.54,-3.18,;9.08,-3.18,;6.77,-1.85,;5.23,-1.85,;1.59,-.87,)|
Show InChI InChI=1S/C26H28F3N7O3/c1-3-22(38)33-19-6-4-5-7-20(19)34-24-18(26(27,28)29)14-30-25(36-24)32-16-12-21(35-23(13-16)39-2)31-15-8-10-17(37)11-9-15/h3-7,12-15,17,37H,1,8-11H2,2H3,(H,33,38)(H3,30,31,32,34,35,36)
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350908
PNG
(US9796700, Compound I-2)
Show SMILES NC(=O)C1CCCC(C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O2/c1-2-17(31)28-15-8-3-4-9-16(15)29-19-14(21(22,23)24)11-26-20(30-19)27-13-7-5-6-12(10-13)18(25)32/h2-4,8-9,11-13H,1,5-7,10H2,(H2,25,32)(H,28,31)(H2,26,27,29,30)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350911
PNG
(US9796700, Compound I-5)
Show SMILES NC(=O)C1CCCC(C1)Nc1ncc(c(Nc2ccc(F)cc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N6O2/c1-2-17(32)29-16-9-12(22)6-7-15(16)30-19-14(21(23,24)25)10-27-20(31-19)28-13-5-3-4-11(8-13)18(26)33/h2,6-7,9-11,13H,1,3-5,8H2,(H2,26,33)(H,29,32)(H2,27,28,30,31)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350913
PNG
(US9796700, Compound I-7)
Show SMILES NC(=O)[C@H]1CCC[C@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N6O2/c1-2-17(31)28-15-8-3-4-9-16(15)29-19-14(21(22,23)24)11-26-20(30-19)27-13-7-5-6-12(10-13)18(25)32/h2-4,8-9,11-13H,1,5-7,10H2,(H2,25,32)(H,28,31)(H2,26,27,29,30)/t12-,13+/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350915
PNG
(US9796700, Compound I-9)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCN(C2)C=O)nc1Nc1ccccc1NC(=O)C=C |r|
Show InChI InChI=1S/C20H21F3N6O2/c1-2-17(31)26-15-7-3-4-8-16(15)27-18-14(20(21,22)23)10-24-19(28-18)25-13-6-5-9-29(11-13)12-30/h2-4,7-8,10,12-13H,1,5-6,9,11H2,(H,26,31)(H2,24,25,27,28)/t13-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350916
PNG
(US9796700, Compound I-10)
Show SMILES CC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N6O2/c1-3-18(32)27-16-8-4-5-9-17(16)28-19-15(21(22,23)24)11-25-20(29-19)26-14-7-6-10-30(12-14)13(2)31/h3-5,8-9,11,14H,1,6-7,10,12H2,2H3,(H,27,32)(H2,25,26,28,29)/t14-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350919
PNG
(US9796700, Compound I-13)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3S/c1-3-17(30)26-15-6-4-5-7-16(15)27-18-14(20(21,22)23)12-24-19(28-18)25-13-8-10-29(11-9-13)33(2,31)32/h3-7,12-13H,1,8-11H2,2H3,(H,26,30)(H2,24,25,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350921
PNG
(US9796700, Compound I-15)
Show SMILES OCC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N6O3/c1-2-17(32)27-15-7-3-4-8-16(15)28-19-14(21(22,23)24)10-25-20(29-19)26-13-6-5-9-30(11-13)18(33)12-31/h2-4,7-8,10,13,31H,1,5-6,9,11-12H2,(H,27,32)(H2,25,26,28,29)/t13-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350924
PNG
(US9796700, Compound I-18)
Show SMILES NC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccccc2NC(=O)C=C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F3N7O2/c1-2-16(31)27-14-7-3-4-8-15(14)28-17-13(20(21,22)23)10-25-19(29-17)26-12-6-5-9-30(11-12)18(24)32/h2-4,7-8,10,12H,1,5-6,9,11H2,(H2,24,32)(H,27,31)(H2,25,26,28,29)/t12-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350925
PNG
(US9796700, Compound I-19)
Show SMILES CC(=O)N1CCC[C@@H](C1)Nc1ncc(c(Nc2ccc(C)cc2NC(=O)C=C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C22H25F3N6O2/c1-4-19(33)28-18-10-13(2)7-8-17(18)29-20-16(22(23,24)25)11-26-21(30-20)27-15-6-5-9-31(12-15)14(3)32/h4,7-8,10-11,15H,1,5-6,9,12H2,2-3H3,(H,28,33)(H2,26,27,29,30)/t15-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350927
PNG
(US9796700, Compound I-20)
Show SMILES Cc1ccc(Nc2nc(N[C@H]3CCCN(C3)C(=O)CO)ncc2C(F)(F)F)c(NC(=O)C=C)c1 |r|
Show InChI InChI=1S/C22H25F3N6O3/c1-3-18(33)28-17-9-13(2)6-7-16(17)29-20-15(22(23,24)25)10-26-21(30-20)27-14-5-4-8-31(11-14)19(34)12-32/h3,6-7,9-10,14,32H,1,4-5,8,11-12H2,2H3,(H,28,33)(H2,26,27,29,30)/t14-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350929
PNG
(US9796700, Compound I-307)
Show SMILES NC(=O)c1ccccc1Nc1nc(N[C@H]2CCCN(C2)C(=O)CO)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H21F3N6O3/c20-19(21,22)13-8-24-18(25-11-4-3-7-28(9-11)15(30)10-29)27-17(13)26-14-6-2-1-5-12(14)16(23)31/h1-2,5-6,8,11,29H,3-4,7,9-10H2,(H2,23,31)(H2,24,25,26,27)/t11-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))		BDBM350932
PNG
(US9796700, Compound I-23)
Show SMILES FC(F)(F)c1cnc(NC2CCC(=O)CC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C20H20F3N5O2/c1-2-17(30)26-15-5-3-4-6-16(15)27-18-14(20(21,22)23)11-24-19(28-18)25-12-7-9-13(29)10-8-12/h2-6,11-12H,1,7-10H2,(H,26,30)(H2,24,25,27,28)
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Celgene CAR LLC

US Patent


Assay Description
The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay ...

US Patent US9796700 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VQD
More data for this
Ligand-Target Pair
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