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Compile Data Set for Download or QSAR

Found 2716 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 |r|
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 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.31,.64,;4.08,-.7,;4.85,.64,;4.08,1.97,;3.31,3.3,;1.77,3.3,;4.08,4.64,;5.62,4.64,;6.39,3.3,;5.62,1.97,;6.39,.64,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:4.4,wD:1.0,(6.57,-3.25,;5.09,-2.85,;4.69,-1.36,;3.2,-.96,;2.11,-2.05,;.62,-1.65,;.23,-.17,;1.13,1.08,;.23,2.33,;-1.24,1.85,;-2.57,2.62,;-3.91,1.85,;-3.91,.31,;-2.57,-.46,;-2.57,-2,;-1.24,-2.77,;-1.24,-4.31,;-2.57,-5.08,;-3.91,-4.31,;-5.24,-5.08,;-3.91,-2.77,;-1.24,.31,;-5.24,2.62,;-6.57,1.85,;-5.24,4.16,;2.8,1.08,;3.57,-.25,;4.34,1.08,;3.57,2.41,;5.11,2.41,;5.88,3.75,;5.11,5.08,;3.57,5.08,;2.8,3.75,;1.26,3.75,;2.51,-3.54,;4,-3.94,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |TLB:10:9:12:5.4.6,THB:8:9:4:7.12.6|
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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Merck Research Laboratories

Curated by ChEMBL




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


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 |r,wU:1.0,27.29,wD:24.25,15.16,(-5.24,-1.96,;-3.91,-2.73,;-2.57,-1.96,;-2.57,-.42,;-3.91,.35,;-3.91,1.89,;-2.57,2.66,;-1.24,1.89,;.23,2.36,;1.13,1.12,;2.67,1.12,;3.44,-.22,;4.98,-.22,;5.75,1.12,;4.98,2.45,;3.44,2.45,;2.67,3.78,;3.44,5.12,;2.67,6.45,;1.13,6.45,;.36,5.12,;1.13,3.78,;.23,-.13,;.62,-1.62,;2.11,-2.02,;2.51,-3.5,;4,-3.9,;5.09,-2.81,;6.57,-3.21,;4.69,-1.32,;3.2,-.93,;-1.24,.35,;-5.24,2.66,;-6.57,1.89,;-5.24,4.2,;-3.91,-4.27,;-5,-5.36,;-3.91,-6.45,;-2.82,-5.36,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:4.4,wD:1.0,35.40,(7.86,-3.92,;6.37,-3.52,;5.98,-2.03,;4.49,-1.63,;3.4,-2.72,;1.91,-2.32,;1.51,-.83,;2.42,.41,;1.51,1.66,;.05,1.18,;-1.28,1.95,;-2.62,1.18,;-2.62,-.36,;-1.28,-1.13,;-1.28,-2.67,;-2.62,-3.44,;-2.62,-4.98,;-3.95,-5.75,;-1.28,-5.75,;.05,-4.98,;1.38,-5.75,;2.72,-4.98,;.05,-3.44,;.05,-.36,;-3.95,1.95,;-3.95,3.49,;-5.42,3.97,;-6.32,2.72,;-7.86,2.72,;-5.42,1.48,;3.96,.41,;4.73,-.92,;6.27,-.92,;7.04,.41,;6.27,1.75,;4.73,1.75,;3.96,3.08,;4.73,4.41,;3.96,5.75,;2.42,5.75,;1.65,4.41,;2.42,3.08,;3.8,-4.21,;5.29,-4.61,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:1.0,27.28,wD:30.32,15.16,(-5.47,-1.96,;-4.13,-2.73,;-2.8,-1.96,;-2.8,-.42,;-4.13,.35,;-4.13,1.89,;-2.8,2.66,;-1.46,1.89,;0,2.36,;.91,1.12,;2.45,1.12,;3.22,-.22,;4.76,-.22,;5.53,1.12,;4.76,2.45,;3.22,2.45,;2.45,3.78,;3.22,5.12,;2.45,6.45,;.91,6.45,;.14,5.12,;.91,3.78,;7.07,1.12,;7.84,2.45,;7.84,-.22,;0,-.13,;.4,-1.62,;1.89,-2.02,;2.98,-.93,;4.46,-1.32,;4.86,-2.81,;6.35,-3.21,;3.77,-3.9,;2.28,-3.5,;-1.46,.35,;-5.47,2.66,;-6.93,2.18,;-7.84,3.43,;-6.93,4.67,;-7.7,6.01,;-5.47,4.2,;-4.13,-4.27,;-5.22,-5.36,;-4.13,-6.45,;-3.04,-5.36,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;3.19,3.3,;1.65,3.3,;3.96,4.64,;5.5,4.64,;6.27,3.3,;5.5,1.97,;6.27,.64,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-3.39,-3.21,;-3.39,-4.75,;-2.05,-5.52,;-.72,-4.75,;.61,-5.52,;-.72,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.73,.64,;3.96,-.7,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:1.0,21.22,wD:24.26,(-4.51,-1.47,;-3.18,-2.24,;-1.85,-1.47,;-1.85,.07,;-3.18,.84,;-3.18,2.38,;-1.85,3.15,;-.51,2.38,;.95,2.86,;1.86,1.61,;3.4,1.61,;4.17,.28,;5.71,.28,;6.48,1.61,;5.71,2.95,;6.18,4.41,;4.94,5.32,;3.69,4.41,;4.17,2.95,;.95,.37,;1.35,-1.12,;2.84,-1.52,;3.93,-.43,;5.41,-.83,;5.81,-2.31,;7.3,-2.71,;4.72,-3.4,;3.24,-3,;-.51,.84,;-4.51,3.15,;-5.76,2.25,;-7.01,3.15,;-6.53,4.62,;-7.3,5.95,;-4.99,4.62,;-3.18,-3.78,;-4.27,-4.86,;-3.18,-5.95,;-2.09,-4.86,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.73,.64,;3.96,-.7,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:1.0,27.29,wD:24.25,15.16,(-5.24,-1.96,;-3.91,-2.73,;-2.57,-1.96,;-2.57,-.42,;-3.91,.35,;-3.91,1.89,;-2.57,2.66,;-1.24,1.89,;.23,2.36,;1.13,1.12,;2.67,1.12,;3.44,-.22,;4.98,-.22,;5.75,1.12,;4.98,2.45,;3.44,2.45,;2.67,3.78,;3.44,5.12,;2.67,6.45,;1.13,6.45,;.36,5.12,;1.13,3.78,;.23,-.13,;.62,-1.62,;2.11,-2.02,;2.51,-3.5,;4,-3.9,;5.09,-2.81,;6.57,-3.21,;4.69,-1.32,;3.2,-.93,;-1.24,.35,;-5.24,2.66,;-6.57,1.89,;-5.24,4.2,;-3.91,-4.27,;-5,-5.36,;-3.91,-6.45,;-2.82,-5.36,)|
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n/an/a 0.381n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:24.27,wD:21.23,(5.86,.64,;4.52,-.13,;3.19,.64,;2.42,-.7,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.03,-3.98,;4.52,-4.38,;5.6,-3.29,;7.09,-3.69,;5.21,-1.81,;3.72,-1.41,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;.11,3.3,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:21.23,wD:24.27,(4.93,-1.67,;4.93,-.13,;3.6,.64,;3.6,-.9,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;1.16,-.61,;1.16,-2.15,;2.49,-2.92,;3.82,-2.15,;5.16,-2.92,;5.16,-4.46,;6.49,-5.23,;3.82,-5.23,;2.49,-4.46,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;4.37,1.97,;3.6,3.3,;2.06,3.3,;4.37,4.64,;5.91,4.64,;6.68,3.3,;5.91,1.97,;6.68,.64,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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 |r,wU:4.4,wD:1.0,33.38,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;1.65,3.08,;.88,4.41,;1.65,5.75,;3.19,5.75,;3.96,4.41,;5.5,4.41,;3.03,-4.21,;4.52,-4.61,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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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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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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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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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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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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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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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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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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))
BDBM127973
PNG
(US8796310, 14D)
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-/m0/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))
BDBM127975
PNG
(US8796310, 15B | US8796310, 15J)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@]1(O)CCc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C25H19F3N4O3S/c1-13-8-18(31-21(9-13)32-20-11-16(5-7-29-20)25(26,27)28)19-12-30-23(36-19)24(35)6-4-14-2-3-15(22(33)34)10-17(14)24/h2-3,5,7-12,35H,4,6H2,1H3,(H,33,34)(H,29,31,32)/t24-/m0/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))
BDBM127978
PNG
(US8796310, 15E)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C27H23F3N4O3S/c1-15-10-20(33-23(11-15)34-22-13-18(7-9-31-22)27(28,29)30)21-14-32-25(38-21)26(37)8-3-2-4-16-12-17(24(35)36)5-6-19(16)26/h5-7,9-14,37H,2-4,8H2,1H3,(H,35,36)(H,31,33,34)/t26-/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))
BDBM127980
PNG
(US8796310, 15G)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCCc2c(cccc12)C(O)=O
Show InChI InChI=1S/C27H23F3N4O3S/c1-15-11-20(33-23(12-15)34-22-13-16(8-10-31-22)27(28,29)30)21-14-32-25(38-21)26(37)9-3-2-5-17-18(24(35)36)6-4-7-19(17)26/h4,6-8,10-14,37H,2-3,5,9H2,1H3,(H,35,36)(H,31,33,34)/t26-/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))
BDBM127981
PNG
(US8796310, 15H)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@]1(O)CCCCc2c(cccc12)C(O)=O
Show InChI InChI=1S/C27H23F3N4O3S/c1-15-11-20(33-23(12-15)34-22-13-16(8-10-31-22)27(28,29)30)21-14-32-25(38-21)26(37)9-3-2-5-17-18(24(35)36)6-4-7-19(17)26/h4,6-8,10-14,37H,2-3,5,9H2,1H3,(H,35,36)(H,31,33,34)/t26-/m0/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))
BDBM127975
PNG
(US8796310, 15B | US8796310, 15J)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@]1(O)CCc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C25H19F3N4O3S/c1-13-8-18(31-21(9-13)32-20-11-16(5-7-29-20)25(26,27)28)19-12-30-23(36-19)24(35)6-4-14-2-3-15(22(33)34)10-17(14)24/h2-3,5,7-12,35H,4,6H2,1H3,(H,33,34)(H,29,31,32)/t24-/m0/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))
BDBM127984
PNG
(US8796310, 16B)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@]1(O)CCc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H19F3N4O3S/c1-13-8-18(31-21(9-13)32-20-11-16(5-7-29-20)25(26,27)28)19-12-30-23(36-19)24(35)6-4-14-10-15(22(33)34)2-3-17(14)24/h2-3,5,7-12,35H,4,6H2,1H3,(H,33,34)(H,29,31,32)/t24-/m0/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))
BDBM127986
PNG
(US8796310, 17)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CCCc2c(Br)c(ccc12)C(O)=O
Show InChI InChI=1S/C26H20BrF3N4O3S/c1-13-9-18(33-21(10-13)34-20-11-14(6-8-31-20)26(28,29)30)19-12-32-24(38-19)25(37)7-2-3-15-17(25)5-4-16(22(15)27)23(35)36/h4-6,8-12,37H,2-3,7H2,1H3,(H,35,36)(H,31,33,34)
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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))
BDBM127988
PNG
(US8796310, 18)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CCCc2c1ccc(C(O)=O)c2C#N
Show InChI InChI=1S/C27H20F3N5O3S/c1-14-9-20(34-23(10-14)35-22-11-15(6-8-32-22)27(28,29)30)21-13-33-25(39-21)26(38)7-2-3-16-18(12-31)17(24(36)37)4-5-19(16)26/h4-6,8-11,13,38H,2-3,7H2,1H3,(H,36,37)(H,32,34,35)
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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))
BDBM127989
PNG
(US8796310, 19)
Show SMILES COc1c2CCCC(O)(c3ncc(s3)-c3cc(C)cc(Nc4cc(ccn4)C(F)(F)F)n3)c2ccc1C(O)=O
Show InChI InChI=1S/C27H23F3N4O4S/c1-14-10-19(33-22(11-14)34-21-12-15(7-9-31-21)27(28,29)30)20-13-32-25(39-20)26(37)8-3-4-16-18(26)6-5-17(24(35)36)23(16)38-2/h5-7,9-13,37H,3-4,8H2,1-2H3,(H,35,36)(H,31,33,34)
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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))
BDBM127993
PNG
(US8796310, 22)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(ccc12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C27H24F3N5O4S2/c1-15-10-20(33-23(11-15)34-22-13-18(7-9-31-22)27(28,29)30)21-14-32-25(40-21)26(37)8-3-4-16-12-17(5-6-19(16)26)24(36)35-41(2,38)39/h5-7,9-14,37H,3-4,8H2,1-2H3,(H,35,36)(H,31,33,34)/t26-/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))
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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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))
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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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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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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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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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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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
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