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Compile Data Set for Download or QSAR

Found 2592 hits with Last Name = 'trotter' and Initial = 'bw'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 21: 2354-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.082
BindingDB Entry DOI: 10.7270/Q2C829MB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 21: 2354-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.082
BindingDB Entry DOI: 10.7270/Q2C829MB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341928
PNG
(CHEMBL1765160 | cis-(4-chlorophenyl)((4R,4aS,8aR)-...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20+,22-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227653
PNG
(3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2c(F)cccc2F)CC1
Show InChI InChI=1S/C28H25ClF3N7O2/c1-14-6-8-15(9-7-14)13-39-22-21(16-10-17(29)12-33-11-16)34-24(25-37-27(40)41-38-25)35-23(22)36-26(39)28(2,32)20-18(30)4-3-5-19(20)31/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,37,38,40)/t14-,15-,28?
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n/an/a 0.156n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227651
PNG
(6-(5-chloropyridin-3-yl)- 8-[1-fluoro-1-(2- fluoro...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)C(O)=O)C(C)(F)c2ccccc2F)CC1
Show InChI InChI=1S/C27H26ClF2N5O2/c1-15-7-9-16(10-8-15)14-35-22-21(17-11-18(28)13-31-12-17)32-24(25(36)37)33-23(22)34-26(35)27(2,30)19-5-3-4-6-20(19)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,36,37)/t15-,16-,27?
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n/an/a 0.176n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50098037
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C27H34N6O/c28-15-20-1-3-21(4-2-20)17-33-19-29-16-25(33)18-31-5-7-32(8-6-31)26(34)30-27-12-22-9-23(13-27)11-24(10-22)14-27/h1-4,16,19,22-24H,5-14,17-18H2,(H,30,34)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 865-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00061-0
BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223046
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- m...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(O)=O)C1CCC1
Show InChI InChI=1S/C30H40N6O3/c1-19-11-13-21(14-12-19)17-36-25-26(31-20(2)22-9-6-10-22)32-28(29(37)38)33-27(25)34-30(36)35-15-16-39-18-24(35)23-7-4-3-5-8-23/h3-5,7-8,19-22,24H,6,9-18H2,1-2H3,(H,37,38)(H,31,32,33)/t19-,20-,21-,24+/m1/s1
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n/an/a 0.202n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224125
PNG
(3-{6-[3-chloro-5- (hydroxymethyl)phen- yl]-7-[(tra...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cc(Cl)cc(CO)c4)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2)CC1
Show InChI InChI=1S/C32H34ClN7O4/c1-19-7-9-20(10-8-19)16-40-27-26(23-13-21(17-41)14-24(33)15-23)34-29(30-37-32(42)44-38-30)35-28(27)36-31(40)39-11-12-43-18-25(39)22-5-3-2-4-6-22/h2-6,13-15,19-20,25,41H,7-12,16-18H2,1H3,(H,37,38,42)/t19-,20-,25-/m0/s1
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n/an/a 0.205n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224261
PNG
(3-{8-[(2r)-4-acetyl- 2-phenylpiperazin-1- yl]-6-{[...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCN(C[C@H]3c3ccccc3)C(C)=O)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1
Show InChI InChI=1S/C33H43N9O3/c1-20-12-14-23(15-13-20)18-42-27-28(34-21(2)24-10-7-11-24)35-30(31-38-33(44)45-39-31)36-29(27)37-32(42)41-17-16-40(22(3)43)19-26(41)25-8-5-4-6-9-25/h4-6,8-9,20-21,23-24,26H,7,10-19H2,1-3H3,(H,34,35,36)(H,38,39,44)/t20-,21-,23-,26+/m1/s1
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n/an/a 0.215n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227665
PNG
(5-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)C(C)(F)c2c(F)cccc2F)CC1
Show InChI InChI=1S/C28H25ClF3N7O2/c1-14-6-8-15(9-7-14)13-39-22-21(16-10-17(29)12-33-11-16)34-24(25-37-38-27(40)41-25)35-23(22)36-26(39)28(2,32)20-18(30)4-3-5-19(20)31/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,38,40)/t14-,15-,28?
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n/an/a 0.289n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50340312
PNG
((2,3-dichlorophenyl)(1-((4,4-difluoropiperidin-1-y...)
Show SMILES FC1(F)CCN(Cc2nc(C(=O)c3cccc(Cl)c3Cl)n3ccccc23)CC1
Show InChI InChI=1S/C20H17Cl2F2N3O/c21-14-5-3-4-13(17(14)22)18(28)19-25-15(16-6-1-2-9-27(16)19)12-26-10-7-20(23,24)8-11-26/h1-6,9H,7-8,10-12H2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 21: 2354-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.082
BindingDB Entry DOI: 10.7270/Q2C829MB
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227683
PNG
(3-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(3- flu...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ncccc2F)CC1
Show InChI InChI=1S/C27H25ClF2N8O2/c1-14-5-7-15(8-6-14)13-38-20-19(16-10-17(28)12-31-11-16)33-23(24-36-26(39)40-37-24)34-22(20)35-25(38)27(2,30)21-18(29)4-3-9-32-21/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H,36,37,39)/t14-,15-,27?
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n/an/a 0.315n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223705
PNG
(3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8- (hexahyd...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC4CCCC34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1
Show InChI InChI=1S/C28H40N8O3/c1-16-9-11-18(12-10-16)15-36-22-23(29-17(2)19-5-3-6-19)30-25(26-33-28(37)39-34-26)31-24(22)32-27(36)35-13-14-38-21-8-4-7-20(21)35/h16-21H,3-15H2,1-2H3,(H,29,30,31)(H,33,34,37)/t16-,17-,18-,20?,21?/m1/s1
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n/an/a 0.344n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227669
PNG
(5-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(3- flu...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)C(C)(F)c2ncccc2F)CC1
Show InChI InChI=1S/C27H25ClF2N8O2/c1-14-5-7-15(8-6-14)13-38-20-19(16-10-17(28)12-31-11-16)33-23(24-36-37-26(39)40-24)34-22(20)35-25(38)27(2,30)21-18(29)4-3-9-32-21/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H,37,39)/t14-,15-,27?
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n/an/a 0.359n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223402
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- m...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCCC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(O)=O)C1CCC1
Show InChI InChI=1S/C31H42N6O2/c1-20-14-16-22(17-15-20)19-37-26-27(32-21(2)23-11-8-12-23)33-29(30(38)39)34-28(26)35-31(37)36-18-7-6-13-25(36)24-9-4-3-5-10-24/h3-5,9-10,20-23,25H,6-8,11-19H2,1-2H3,(H,38,39)(H,32,33,34)/t20-,21-,22-,25+/m1/s1
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n/an/a 0.381n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM226428
PNG
(3-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(2- flu...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ccccc2F)CC1
Show InChI InChI=1S/C28H26ClF2N7O2/c1-15-7-9-16(10-8-15)14-38-22-21(17-11-18(29)13-32-12-17)33-24(25-36-27(39)40-37-25)34-23(22)35-26(38)28(2,31)19-5-3-4-6-20(19)30/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,36,37,39)/t15-,16-,28?
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n/an/a 0.424n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227696
PNG
(2-{1-[6-(5-chloropyridin- 3-yl)-7-[(trans-4- methy...)
Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1ccccc1C#N
Show InChI InChI=1S/C30H29ClN8O3/c1-17-8-10-18(11-9-17)16-39-24-23(20-12-21(31)15-33-14-20)34-26(27-37-29(40)42-38-27)35-25(24)36-28(39)30(2,41-3)22-7-5-4-6-19(22)13-32/h4-7,12,14-15,17-18H,8-11,16H2,1-3H3,(H,37,38,40)/t17-,18-,30?
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n/an/a 0.435n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227678
PNG
(3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...)
Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1c(F)cccc1F
Show InChI InChI=1S/C29H28ClF2N7O3/c1-15-7-9-16(10-8-15)14-39-23-22(17-11-18(30)13-33-12-17)34-25(26-37-28(40)42-38-26)35-24(23)36-27(39)29(2,41-3)21-19(31)5-4-6-20(21)32/h4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,37,38,40)/t15-,16-,29?
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n/an/a 0.452n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM226426
PNG
(5-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(2- flu...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)C(C)(F)c2ccccc2F)CC1
Show InChI InChI=1S/C28H26ClF2N7O2/c1-15-7-9-16(10-8-15)14-38-22-21(17-11-18(29)13-32-12-17)33-24(25-36-37-27(39)40-25)34-23(22)35-26(38)28(2,31)19-5-3-4-6-20(19)30/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,37,39)/t15-,16-,28?
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US Patent
n/an/a 0.453n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224176
PNG
(5-{6-(5- chloropyridin-3-yl)- 8-[(3r)-3-(2- fluoro...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)N2CCOC[C@H]2c2ccccc2F)CC1
Show InChI InChI=1S/C30H30ClFN8O3/c1-17-6-8-18(9-7-17)15-40-25-24(19-12-20(31)14-33-13-19)34-27(28-37-38-30(41)43-28)35-26(25)36-29(40)39-10-11-42-16-23(39)21-4-2-3-5-22(21)32/h2-5,12-14,17-18,23H,6-11,15-16H2,1H3,(H,38,41)/t17-,18-,23-/m0/s1
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n/an/a 0.494n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127998
PNG
(US8796310, 22E)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(ccc12)C(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C27H22F3N9O2S/c1-14-9-19(33-22(10-14)34-21-12-17(6-8-31-21)27(28,29)30)20-13-32-24(42-20)26(41)7-2-3-15-11-16(4-5-18(15)26)23(40)35-25-36-38-39-37-25/h4-6,8-13,41H,2-3,7H2,1H3,(H,31,33,34)(H2,35,36,37,38,39,40)/t26-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128001
PNG
(US8796310, 24)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(ccc12)P(O)(O)=O
Show InChI InChI=1S/C25H22F3N4O4PS/c1-14-9-19(31-22(10-14)32-21-12-16(6-8-29-21)25(26,27)28)20-13-30-23(38-20)24(33)7-2-3-15-11-17(37(34,35)36)4-5-18(15)24/h4-6,8-13,33H,2-3,7H2,1H3,(H,29,31,32)(H2,34,35,36)/t24-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127994
PNG
(US8796310, 22A)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(ccc12)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C29H26F3N5O4S2/c1-16-11-22(35-25(12-16)36-24-14-19(8-10-33-24)29(30,31)32)23-15-34-27(42-23)28(39)9-2-3-17-13-18(4-7-21(17)28)26(38)37-43(40,41)20-5-6-20/h4,7-8,10-15,20,39H,2-3,5-6,9H2,1H3,(H,37,38)(H,33,35,36)/t28-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128006
PNG
(US8796310, 27A)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(N)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C26H22F3N5O2S/c1-14-9-19(33-22(10-14)34-21-12-17(6-8-31-21)26(27,28)29)20-13-32-24(37-20)25(30)7-2-3-15-11-16(23(35)36)4-5-18(15)25/h4-6,8-13H,2-3,7,30H2,1H3,(H,35,36)(H,31,33,34)/t25-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128011
PNG
(US8796310, 29C)
Show SMILES CCCOc1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)[C@@]2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C28H28N4O4S/c1-3-11-36-20-8-10-29-24(15-20)32-25-13-17(2)12-22(31-25)23-16-30-27(37-23)28(35)9-4-5-18-14-19(26(33)34)6-7-21(18)28/h6-8,10,12-16,35H,3-5,9,11H2,1-2H3,(H,33,34)(H,29,31,32)/t28-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127939
PNG
(US8796310, 1)
Show SMILES Cc1cc(Nc2cc(OC(C)(C)C)ccn2)nc(c1)-c1cnc(s1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C29H30N4O4S/c1-17-12-22(32-25(13-17)33-24-15-20(9-11-30-24)37-28(2,3)4)23-16-31-27(38-23)29(36)10-5-6-18-14-19(26(34)35)7-8-21(18)29/h7-9,11-16,36H,5-6,10H2,1-4H3,(H,34,35)(H,30,32,33)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128013
PNG
(US8796310, 1A)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1cnc(s1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C26H22F2N4O3S/c1-14-9-19(31-22(10-14)32-21-12-16(23(27)28)6-8-29-21)20-13-30-25(36-20)26(35)7-2-3-15-11-17(24(33)34)4-5-18(15)26/h4-6,8-13,23,35H,2-3,7H2,1H3,(H,33,34)(H,29,31,32)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127940
PNG
(US8796310, 1C)
Show SMILES Cc1cc(Nc2cc(ccn2)N2CCN(CCN)CC2)nc(c1)-c1cnc(s1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C31H35N7O3S/c1-20-15-25(26-19-34-30(42-26)31(41)7-2-3-21-17-22(29(39)40)4-5-24(21)31)35-28(16-20)36-27-18-23(6-9-33-27)38-13-11-37(10-8-32)12-14-38/h4-6,9,15-19,41H,2-3,7-8,10-14,32H2,1H3,(H,39,40)(H,33,35,36)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127941
PNG
(US8796310, 1D)
Show SMILES Cc1cc(Nc2cc(ccn2)N2CCNCC2)nc(c1)-c1cnc(s1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C29H30N6O3S/c1-18-13-23(33-26(14-18)34-25-16-21(6-8-31-25)35-11-9-30-10-12-35)24-17-32-28(39-24)29(38)7-2-3-19-15-20(27(36)37)4-5-22(19)29/h4-6,8,13-17,30,38H,2-3,7,9-12H2,1H3,(H,36,37)(H,31,33,34)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127942
PNG
(US8796310, 1E)
Show SMILES Cc1cnn(c1)-c1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)C2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C29H26N6O3S/c1-17-10-23(33-26(11-17)34-25-13-21(7-9-30-25)35-16-18(2)14-32-35)24-15-31-28(39-24)29(38)8-3-4-19-12-20(27(36)37)5-6-22(19)29/h5-7,9-16,38H,3-4,8H2,1-2H3,(H,36,37)(H,30,33,34)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127943
PNG
(US8796310, 1F)
Show SMILES Cc1cc(Nc2cc(ccn2)-n2cccn2)nc(c1)-c1cnc(s1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C28H24N6O3S/c1-17-12-22(32-25(13-17)33-24-15-20(7-10-29-24)34-11-3-9-31-34)23-16-30-27(38-23)28(37)8-2-4-18-14-19(26(35)36)5-6-21(18)28/h3,5-7,9-16,37H,2,4,8H2,1H3,(H,35,36)(H,29,32,33)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128015
PNG
(US8796310, 1H)
Show SMILES Cc1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)C2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C26H24N4O3S/c1-15-7-9-27-22(11-15)30-23-12-16(2)10-20(29-23)21-14-28-25(34-21)26(33)8-3-4-17-13-18(24(31)32)5-6-19(17)26/h5-7,9-14,33H,3-4,8H2,1-2H3,(H,31,32)(H,27,29,30)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127946
PNG
(US8796310, 1J)
Show SMILES Cc1ccn(n1)-c1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)C2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C29H26N6O3S/c1-17-12-23(32-26(13-17)33-25-15-21(7-10-30-25)35-11-8-18(2)34-35)24-16-31-28(39-24)29(38)9-3-4-19-14-20(27(36)37)5-6-22(19)29/h5-8,10-16,38H,3-4,9H2,1-2H3,(H,36,37)(H,30,32,33)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127947
PNG
(US8796310, 1K)
Show SMILES Cc1cc(Nc2cc(ccn2)C2CCC2)nc(c1)-c1cnc(s1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C29H28N4O3S/c1-17-12-23(32-26(13-17)33-25-15-19(9-11-30-25)18-4-2-5-18)24-16-31-28(37-24)29(36)10-3-6-20-14-21(27(34)35)7-8-22(20)29/h7-9,11-16,18,36H,2-6,10H2,1H3,(H,34,35)(H,30,32,33)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128016
PNG
(US8796310, 1M)
Show SMILES CCCc1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)C2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C28H28N4O3S/c1-3-5-18-9-11-29-24(14-18)32-25-13-17(2)12-22(31-25)23-16-30-27(36-23)28(35)10-4-6-19-15-20(26(33)34)7-8-21(19)28/h7-9,11-16,35H,3-6,10H2,1-2H3,(H,33,34)(H,29,31,32)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128017
PNG
(US8796310, 1N)
Show SMILES CCOc1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)C2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C27H26N4O4S/c1-3-35-19-8-10-28-23(14-19)31-24-12-16(2)11-21(30-24)22-15-29-26(36-22)27(34)9-4-5-17-13-18(25(32)33)6-7-20(17)27/h6-8,10-15,34H,3-5,9H2,1-2H3,(H,32,33)(H,28,30,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128018
PNG
(US8796310, 1P)
Show SMILES CCc1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)C2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C27H26N4O3S/c1-3-17-8-10-28-23(13-17)31-24-12-16(2)11-21(30-24)22-15-29-26(35-22)27(34)9-4-5-18-14-19(25(32)33)6-7-20(18)27/h6-8,10-15,34H,3-5,9H2,1-2H3,(H,32,33)(H,28,30,31)
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US Patent
n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128019
PNG
(US8796310, 1R)
Show SMILES CC(C)Oc1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)C2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C28H28N4O4S/c1-16(2)36-20-8-10-29-24(14-20)32-25-12-17(3)11-22(31-25)23-15-30-27(37-23)28(35)9-4-5-18-13-19(26(33)34)6-7-21(18)28/h6-8,10-16,35H,4-5,9H2,1-3H3,(H,33,34)(H,29,31,32)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127950
PNG
(US8796310, 1S)
Show SMILES Cc1nnc(o1)-c1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)C2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C28H24N6O4S/c1-15-10-21(31-24(11-15)32-23-13-18(7-9-29-23)25-34-33-16(2)38-25)22-14-30-27(39-22)28(37)8-3-4-17-12-19(26(35)36)5-6-20(17)28/h5-7,9-14,37H,3-4,8H2,1-2H3,(H,35,36)(H,29,31,32)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127951
PNG
(US8796310, 1T)
Show SMILES Cc1cc(Nc2cc(OC3CCOC3)ccn2)nc(c1)-c1cnc(s1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C29H28N4O5S/c1-17-11-23(32-26(12-17)33-25-14-20(6-9-30-25)38-21-7-10-37-16-21)24-15-31-28(39-24)29(36)8-2-3-18-13-19(27(34)35)4-5-22(18)29/h4-6,9,11-15,21,36H,2-3,7-8,10,16H2,1H3,(H,34,35)(H,30,32,33)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127952
PNG
(US8796310, 1U)
Show SMILES Cc1cc(Nc2cc(ccn2)C2CC2)nc(c1)-c1cnc(s1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C28H26N4O3S/c1-16-11-22(31-25(12-16)32-24-14-18(8-10-29-24)17-4-5-17)23-15-30-27(36-23)28(35)9-2-3-19-13-20(26(33)34)6-7-21(19)28/h6-8,10-15,17,35H,2-5,9H2,1H3,(H,33,34)(H,29,31,32)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM128020
PNG
(US8796310, 1V)
Show SMILES CC(C)c1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)C2(O)CCCc3cc(ccc23)C(O)=O)c1
Show InChI InChI=1S/C28H28N4O3S/c1-16(2)18-8-10-29-24(14-18)32-25-12-17(3)11-22(31-25)23-15-30-27(36-23)28(35)9-4-5-19-13-20(26(33)34)6-7-21(19)28/h6-8,10-16,35H,4-5,9H2,1-3H3,(H,33,34)(H,29,31,32)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127953
PNG
(US8796310, 2 | US8796310, 8)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C26H21F3N4O3S/c1-14-9-19(32-22(10-14)33-21-12-17(6-8-30-21)26(27,28)29)20-13-31-24(37-20)25(36)7-2-3-15-11-16(23(34)35)4-5-18(15)25/h4-6,8-13,36H,2-3,7H2,1H3,(H,34,35)(H,30,32,33)/t25-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127956
PNG
(US8796310, 4 | US8796310, 4A)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(C(O)=O)c(F)cc12
Show InChI InChI=1S/C26H20F4N4O3S/c1-13-7-19(33-22(8-13)34-21-10-15(4-6-31-21)26(28,29)30)20-12-32-24(38-20)25(37)5-2-3-14-9-16(23(35)36)18(27)11-17(14)25/h4,6-12,37H,2-3,5H2,1H3,(H,35,36)(H,31,33,34)/t25-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127956
PNG
(US8796310, 4 | US8796310, 4A)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(C(O)=O)c(F)cc12
Show InChI InChI=1S/C26H20F4N4O3S/c1-13-7-19(33-22(8-13)34-21-10-15(4-6-31-21)26(28,29)30)20-12-32-24(38-20)25(37)5-2-3-14-9-16(23(35)36)18(27)11-17(14)25/h4,6-12,37H,2-3,5H2,1H3,(H,35,36)(H,31,33,34)/t25-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127960
PNG
(US8796310, 7)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C26H21F3N4O3S/c1-14-9-19(32-22(10-14)33-21-12-17(6-8-30-21)26(27,28)29)20-13-31-24(37-20)25(36)7-2-3-15-11-16(23(34)35)4-5-18(15)25/h4-6,8-13,36H,2-3,7H2,1H3,(H,34,35)(H,30,32,33)
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127964
PNG
(US8796310, 11)
Show SMILES Cc1cc(Nc2cc(ccn2)-c2c[nH]nn2)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C27H23N7O3S/c1-15-9-20(31-24(10-15)32-23-12-17(6-8-28-23)21-13-30-34-33-21)22-14-29-26(38-22)27(37)7-2-3-16-11-18(25(35)36)4-5-19(16)27/h4-6,8-14,37H,2-3,7H2,1H3,(H,35,36)(H,28,31,32)(H,30,33,34)/t27-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127965
PNG
(US8796310, 12A)
Show SMILES Cc1cc(Nc2cc(cc[nH+]2)C(F)(F)F)nc(-c2cnc(s2)[C@@]2(O)CCCc3cc(ccc23)C(O)=O)c1Br
Show InChI InChI=1S/C26H20BrF3N4O3S/c1-13-9-20(33-19-11-16(6-8-31-19)26(28,29)30)34-22(21(13)27)18-12-32-24(38-18)25(37)7-2-3-14-10-15(23(35)36)4-5-17(14)25/h4-6,8-12,37H,2-3,7H2,1H3,(H,35,36)(H,31,33,34)/p+1/t25-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127969
PNG
(US8796310, 13B)
Show SMILES Nc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H20F3N5O3S/c26-25(27,28)15-5-7-30-20(9-15)33-21-11-16(29)10-18(32-21)19-12-31-23(37-19)24(36)6-1-2-13-8-14(22(34)35)3-4-17(13)24/h3-5,7-12,36H,1-2,6H2,(H,34,35)(H3,29,30,32,33)/t24-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM127972
PNG
(US8796310, 14C)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2c(cccc12)C(O)=O
Show InChI InChI=1S/C26H21F3N4O3S/c1-14-10-19(32-22(11-14)33-21-12-15(7-9-30-21)26(27,28)29)20-13-31-24(37-20)25(36)8-3-5-16-17(23(34)35)4-2-6-18(16)25/h2,4,6-7,9-13,36H,3,5,8H2,1H3,(H,34,35)(H,30,32,33)/t25-/m1/s1
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n/an/a<0.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Bio...


US Patent US8796310 (2014)


BindingDB Entry DOI: 10.7270/Q29W0D61
More data for this
Ligand-Target Pair
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