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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 5986   
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
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103511
PNG
(US8546370, 17)
Show SMILES NCCCc1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C21H25N5O2/c22-8-1-2-17-14-15-7-9-23-21(27)19(15)20(25-17)24-16-3-5-18(6-4-16)26-10-12-28-13-11-26/h3-7,9,14H,1-2,8,10-13,22H2,(H,23,27)(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103519
PNG
(US8546370, 164)
Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cc3cc[nH]c(=O)c23)-c2cncnc2)cc1
Show InChI InChI=1S/C24H24N6O/c1-30-10-7-17(8-11-30)16-2-4-20(5-3-16)28-23-22-18(6-9-27-24(22)31)12-21(29-23)19-13-25-15-26-14-19/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,31)(H,28,29)
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n/an/a 2n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103512
PNG
(US8546370, 83)
Show SMILES CCN1CCN(CC1)c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H30N6O2/c1-2-28-9-11-30(12-10-28)21-17-18-7-8-25-24(31)22(18)23(27-21)26-19-3-5-20(6-4-19)29-13-15-32-16-14-29/h3-8,17H,2,9-16H2,1H3,(H,25,31)(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103524
PNG
(US8546370, 304)
Show SMILES COc1cncc(c1)-c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)C2CCN(CCC(C)=O)CC2)n1
Show InChI InChI=1S/C29H31N5O3/c1-19(35)8-12-34-13-9-21(10-14-34)20-3-5-24(6-4-20)32-28-27-22(7-11-31-29(27)36)16-26(33-28)23-15-25(37-2)18-30-17-23/h3-7,11,15-18,21H,8-10,12-14H2,1-2H3,(H,31,36)(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103522
PNG
(US8546370, 190)
Show SMILES CNC(=O)C(C)(C)c1ccc(Nc2nc(cc3cc[nH]c(=O)c23)-c2cncnc2)cc1
Show InChI InChI=1S/C23H22N6O2/c1-23(2,22(31)24-3)16-4-6-17(7-5-16)28-20-19-14(8-9-27-21(19)30)10-18(29-20)15-11-25-13-26-12-15/h4-13H,1-3H3,(H,24,31)(H,27,30)(H,28,29)
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IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103512
PNG
(US8546370, 83)
Show SMILES CCN1CCN(CC1)c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H30N6O2/c1-2-28-9-11-30(12-10-28)21-17-18-7-8-25-24(31)22(18)23(27-21)26-19-3-5-20(6-4-19)29-13-15-32-16-14-29/h3-8,17H,2,9-16H2,1H3,(H,25,31)(H,26,27)
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n/an/a 9n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103521
PNG
(US8546370, 183)
Show SMILES FC(F)(F)CNc1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)12-25-16-11-13-5-6-24-19(29)17(13)18(27-16)26-14-1-3-15(4-2-14)28-7-9-30-10-8-28/h1-6,11H,7-10,12H2,(H,24,29)(H2,25,26,27)
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n/an/a 24n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103530
PNG
(US8546370, 643)
Show SMILES COc1cncc(n1)-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCOCC3)c(C)c2)n1
Show InChI InChI=1S/C25H25N5O3/c1-15-11-18(3-4-19(15)16-6-9-33-10-7-16)28-24-23-17(5-8-27-25(23)31)12-20(30-24)21-13-26-14-22(29-21)32-2/h3-5,8,11-14,16H,6-7,9-10H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 31n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103517
PNG
(US8546370, 130)
Show SMILES CC(C)Cn1cc(cn1)-c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)C2CCN(CC2)C(C)=O)n1
Show InChI InChI=1S/C28H32N6O2/c1-18(2)16-34-17-23(15-30-34)25-14-22-8-11-29-28(36)26(22)27(32-25)31-24-6-4-20(5-7-24)21-9-12-33(13-10-21)19(3)35/h4-8,11,14-15,17-18,21H,9-10,12-13,16H2,1-3H3,(H,29,36)(H,31,32)
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n/an/a 44n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103529
PNG
(US8546370, 637)
Show SMILES CCN1CCN(CCc2ccc(Nc3nc(cc4cc[nH]c(=O)c34)-c3cncc(OC)n3)cc2)CC1
Show InChI InChI=1S/C27H31N7O2/c1-3-33-12-14-34(15-13-33)11-9-19-4-6-21(7-5-19)30-26-25-20(8-10-29-27(25)35)16-22(32-26)23-17-28-18-24(31-23)36-2/h4-8,10,16-18H,3,9,11-15H2,1-2H3,(H,29,35)(H,30,32)
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n/an/a 46n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103532
PNG
(US8546370, 1124)
Show SMILES Cn1cc(Nc2nc(cc3ccn(C)c(=O)c23)-c2cnc(N)nc2)cn1
Show InChI InChI=1S/C17H16N8O/c1-24-4-3-10-5-13(11-6-19-17(18)20-7-11)23-15(14(10)16(24)26)22-12-8-21-25(2)9-12/h3-9H,1-2H3,(H,22,23)(H2,18,19,20)
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n/an/a 48n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103510
PNG
(US8546370, 11)
Show SMILES O=c1[nH]ccc2cc(nc(Nc3ccc(cc3)N3CCOCC3)c12)-c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c29-24-22-18(10-11-25-24)16-21(17-4-2-1-3-5-17)27-23(22)26-19-6-8-20(9-7-19)28-12-14-30-15-13-28/h1-11,16H,12-15H2,(H,25,29)(H,26,27)
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n/an/a 58n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103518
PNG
(US8546370, 151)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc(cc3cc[nH]c(=O)c23)-c2cncnc2)cc1
Show InChI InChI=1S/C21H18N6O2/c1-27(2)21(29)13-3-5-16(6-4-13)25-19-18-14(7-8-24-20(18)28)9-17(26-19)15-10-22-12-23-11-15/h3-12H,1-2H3,(H,24,28)(H,25,26)
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n/an/a 78n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103527
PNG
(US8546370, 589)
Show SMILES Cc1cc(Nc2nc(cc3cc[nH]c(=O)c23)-c2cncnc2)ccc1C1CCN(CC1)C1CC1
Show InChI InChI=1S/C27H28N6O/c1-17-12-21(2-5-23(17)18-7-10-33(11-8-18)22-3-4-22)31-26-25-19(6-9-30-27(25)34)13-24(32-26)20-14-28-16-29-15-20/h2,5-6,9,12-16,18,22H,3-4,7-8,10-11H2,1H3,(H,30,34)(H,31,32)
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n/an/a 79n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103520
PNG
(US8546370, 167)
Show SMILES Cc1ccncc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H23N5O2/c1-16-6-8-25-15-20(16)21-14-17-7-9-26-24(30)22(17)23(28-21)27-18-2-4-19(5-3-18)29-10-12-31-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,26,30)(H,27,28)
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n/an/a 109n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103525
PNG
(US8546370, 443)
Show SMILES CN1CCC(CC1)Oc1ccc(Nc2nc(cc3cc[nH]c(=O)c23)-c2nc(C)cs2)cc1
Show InChI InChI=1S/C24H25N5O2S/c1-15-14-32-24(26-15)20-13-16-7-10-25-23(30)21(16)22(28-20)27-17-3-5-18(6-4-17)31-19-8-11-29(2)12-9-19/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,25,30)(H,27,28)
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IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103526
PNG
(US8546370, 580)
Show SMILES C[C@@H]1CN(CCO1)c1ccc(Nc2nc(cc3cc[nH]c(=O)c23)-c2cnc(C)nc2)cc1C |r|
Show InChI InChI=1S/C25H26N6O2/c1-15-10-20(4-5-22(15)31-8-9-33-16(2)14-31)29-24-23-18(6-7-26-25(23)32)11-21(30-24)19-12-27-17(3)28-13-19/h4-7,10-13,16H,8-9,14H2,1-3H3,(H,26,32)(H,29,30)/t16-/m1/s1
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IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103523
PNG
(US8546370, 276)
Show SMILES COc1cncc(c1)-c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)C2CCOCC2)n1
Show InChI InChI=1S/C25H24N4O3/c1-31-21-12-19(14-26-15-21)22-13-18-6-9-27-25(30)23(18)24(29-22)28-20-4-2-16(3-5-20)17-7-10-32-11-8-17/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,30)(H,28,29)
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n/an/a 237n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103515
PNG
(US8546370, 117)
Show SMILES Brc1cnc(Nc2ccc(cc2)N2CCOCC2)c2c1cc[nH]c2=O
Show InChI InChI=1S/C18H17BrN4O2/c19-15-11-21-17(16-14(15)5-6-20-18(16)24)22-12-1-3-13(4-2-12)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,20,24)(H,21,22)
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n/an/a 277n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103528
PNG
(US8546370, 610)
Show SMILES Cc1cn(cn1)-c1cccc(n1)-c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C27H25N7O2/c1-18-16-34(17-29-18)24-4-2-3-22(31-24)23-15-19-9-10-28-27(35)25(19)26(32-23)30-20-5-7-21(8-6-20)33-11-13-36-14-12-33/h2-10,15-17H,11-14H2,1H3,(H,28,35)(H,30,32)
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n/an/a 292n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103531
PNG
(US8546370, 655)
Show SMILES Cc1cccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(cc3)N3CCOCC3)n2)c1S(N)(=O)=O
Show InChI InChI=1S/C25H26N6O4S/c1-16-3-2-4-20(23(16)36(26,33)34)29-21-15-17-9-10-27-25(32)22(17)24(30-21)28-18-5-7-19(8-6-18)31-11-13-35-14-12-31/h2-10,15H,11-14H2,1H3,(H,27,32)(H2,26,33,34)(H2,28,29,30)
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UniChem
US Patent
n/an/a 324n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103513
PNG
(US8546370, 100)
Show SMILES NCCNc1cc2cc[nH]c(=O)c2c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C17H16F3N5O/c18-17(19,20)11-2-1-3-12(9-11)24-15-14-10(4-6-23-16(14)26)8-13(25-15)22-7-5-21/h1-4,6,8-9H,5,7,21H2,(H,23,26)(H2,22,24,25)
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UniChem
US Patent
n/an/a 398n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103516
PNG
(US8546370, 120)
Show SMILES Cn1cc(cn1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2c1cc[nH]c2=O
Show InChI InChI=1S/C22H22N6O2/c1-27-14-15(12-25-27)19-13-24-21(20-18(19)6-7-23-22(20)29)26-16-2-4-17(5-3-16)28-8-10-30-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,23,29)(H,24,26)
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US Patent
n/an/a 421n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM103514
PNG
(US8546370, 102)
Show SMILES Clc1ccccc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H21ClN4O2/c25-20-4-2-1-3-19(20)21-15-16-9-10-26-24(30)22(16)23(28-21)27-17-5-7-18(8-6-17)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,26,30)(H,27,28)
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Similars

US Patent
n/an/a 475n/an/an/an/an/an/a



IRM LLC

US Patent


Assay Description
Homogenous time-resolved fluorescence assay using Syk enzyme.


US Patent US8546370 (2013)


BindingDB Entry DOI: 10.7270/Q2GQ6WDM
More data for this
Ligand-Target Pair