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Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'abrams' and Initial = 'j'   
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
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15067
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.5n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050935
PNG
((S)-2-{(S)-4-Methyl-2-[(S)-4-methylsulfanyl-2-(3-p...)
Show SMILES CSCC[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-18(2)16-23(26(34)31-24(27(35)36)17-20-8-6-5-7-9-20)30-25(33)22(14-15-38-4)32-28(37)29-21-12-10-19(3)11-13-21/h5-13,18,22-24H,14-17H2,1-4H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050933
PNG
((S)-2-((S)-2-{(S)-2-[3-(4-Chloro-phenyl)-ureido]-4...)
Show SMILES CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H35ClN4O5S/c1-17(2)15-22(25(34)31-23(26(35)36)16-18-7-5-4-6-8-18)30-24(33)21(13-14-38-3)32-27(37)29-20-11-9-19(28)10-12-20/h4-12,17,21-23H,13-16H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t21-,22-,23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050929
PNG
(2-((S)-2-{(S)-2-[3-(4-Methoxy-phenyl)-ureido]-4-me...)
Show SMILES COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C28H38N4O6S/c1-18(2)16-23(26(34)31-24(27(35)36)17-19-8-6-5-7-9-19)30-25(33)22(14-15-39-4)32-28(37)29-20-10-12-21(38-3)13-11-20/h5-13,18,22-24H,14-17H2,1-4H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24?/m0/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15067
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.60n/an/an/an/a7.422



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6.5n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6.60n/an/an/an/a7.422



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15067
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 10n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15022
PNG
(3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl...)
Show SMILES N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1
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n/an/a 14n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050937
PNG
((S)-2-[(S)-2-((S)-2-Formylamino-4-methylsulfanyl-b...)
Show SMILES CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050945
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Adamantan-1-y...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C50H66N6O7/c1-31(2)20-39(52-47(60)42(26-34-16-10-6-11-17-34)55-49(63)56-50-28-36-22-37(29-50)24-38(23-36)30-50)44(57)53-41(25-33-14-8-5-9-15-33)46(59)51-40(21-32(3)4)45(58)54-43(48(61)62)27-35-18-12-7-13-19-35/h5-19,31-32,36-43H,20-30H2,1-4H3,(H,51,59)(H,52,60)(H,53,57)(H,54,58)(H,61,62)(H2,55,56,63)/t36?,37?,38?,39-,40-,41+,42+,43+,50?/m1/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050928
PNG
((S)-2-[(R)-4-Methyl-2-((S)-2-{(R)-4-methyl-2-[(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H58N6O7/c1-30(2)24-37(50-45(57)40(28-34-19-11-7-12-20-34)53-47(60)48-36-23-15-16-32(5)26-36)42(54)51-39(27-33-17-9-6-10-18-33)44(56)49-38(25-31(3)4)43(55)52-41(46(58)59)29-35-21-13-8-14-22-35/h6-23,26,30-31,37-41H,24-25,27-29H2,1-5H3,(H,49,56)(H,50,57)(H,51,54)(H,52,55)(H,58,59)(H2,48,53,60)/t37-,38-,39+,40+,41+/m1/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15068
PNG
(13b (R-) | 6-{5-[(2R)-2-amino-3-(1H-indol-3-yl)pro...)
Show SMILES N[C@@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050946
PNG
((S)-2-{(S)-4-Methyl-2-[(S)-4-methylsulfanyl-2-(3-p...)
Show SMILES CSCC[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H36N4O5S/c1-18(2)16-22(25(33)30-23(26(34)35)17-19-10-6-4-7-11-19)29-24(32)21(14-15-37-3)31-27(36)28-20-12-8-5-9-13-20/h4-13,18,21-23H,14-17H2,1-3H3,(H,29,32)(H,30,33)(H,34,35)(H2,28,31,36)/t21-,22-,23-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15067
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15022
PNG
(3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl...)
Show SMILES N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1
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n/an/a 38n/an/an/an/a7.422



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a 42n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Nat Chem Biol 2: 265-73 (2006)


Article DOI: 10.1038/nchembio778
BindingDB Entry DOI: 10.7270/Q2TT4R56
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050942
PNG
((S)-2-[(R)-4-Methyl-2-((S)-2-{(R)-4-methyl-2-[(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H56N6O7/c1-30(2)25-36(49-44(56)39(28-33-19-11-6-12-20-33)52-46(59)47-35-23-15-8-16-24-35)41(53)50-38(27-32-17-9-5-10-18-32)43(55)48-37(26-31(3)4)42(54)51-40(45(57)58)29-34-21-13-7-14-22-34/h5-24,30-31,36-40H,25-29H2,1-4H3,(H,48,55)(H,49,56)(H,50,53)(H,51,54)(H,57,58)(H2,47,52,59)/t36-,37-,38+,39+,40+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 68n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Nat Chem Biol 2: 265-73 (2006)


Article DOI: 10.1038/nchembio778
BindingDB Entry DOI: 10.7270/Q2TT4R56
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050939
PNG
((S)-2-{(S)-4-Methyl-2-[(S)-4-methylsulfanyl-2-(3-m...)
Show SMILES CSCC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-18(2)15-23(26(34)31-24(27(35)36)17-20-10-6-5-7-11-20)30-25(33)22(13-14-38-4)32-28(37)29-21-12-8-9-19(3)16-21/h5-12,16,18,22-24H,13-15,17H2,1-4H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050926
PNG
((S)-2-((R)-4-Methyl-2-{(S)-2-[(R)-4-methyl-2-((S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H52N6O7/c1-25(2)20-30(43-38(50)33(46-40(41)53)23-28-16-10-6-11-17-28)35(47)44-32(22-27-14-8-5-9-15-27)37(49)42-31(21-26(3)4)36(48)45-34(39(51)52)24-29-18-12-7-13-19-29/h5-19,25-26,30-34H,20-24H2,1-4H3,(H,42,49)(H,43,50)(H,44,47)(H,45,48)(H,51,52)(H3,41,46,53)/t30-,31-,32+,33+,34+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15066
PNG
(5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(pyrid...)
Show SMILES N[C@H](COc1cncc2nc(ccc12)-c1ccncc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050928
PNG
((S)-2-[(R)-4-Methyl-2-((S)-2-{(R)-4-methyl-2-[(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H58N6O7/c1-30(2)24-37(50-45(57)40(28-34-19-11-7-12-20-34)53-47(60)48-36-23-15-16-32(5)26-36)42(54)51-39(27-33-17-9-6-10-18-33)44(56)49-38(25-31(3)4)43(55)52-41(46(58)59)29-35-21-13-8-14-22-35/h6-23,26,30-31,37-41H,24-25,27-29H2,1-5H3,(H,49,56)(H,50,57)(H,51,54)(H,52,55)(H,58,59)(H2,48,53,60)/t37-,38-,39+,40+,41+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050943
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Isopropyl-ure...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H58N6O7/c1-27(2)22-33(46-41(53)36(49-43(56)44-29(5)6)25-31-18-12-8-13-19-31)38(50)47-35(24-30-16-10-7-11-17-30)40(52)45-34(23-28(3)4)39(51)48-37(42(54)55)26-32-20-14-9-15-21-32/h7-21,27-29,33-37H,22-26H2,1-6H3,(H,45,52)(H,46,53)(H,47,50)(H,48,51)(H,54,55)(H2,44,49,56)/t33-,34-,35+,36+,37+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15023
PNG
(3-[(2S)-2-amino-3-({5-[2-(pyridin-4-yl)ethynyl]pyr...)
Show SMILES N[C@H](COc1cncc(c1)C#Cc1ccncc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H20N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-4,7-11,13-15,20,27H,12,16,24H2/t20-/m0/s1
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n/an/a 210n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15064
PNG
(N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(isoqui...)
Show SMILES N[C@H](CNc1cncc(Oc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H23N5O/c26-19(10-18-13-30-24-6-2-1-5-22(18)24)14-29-20-11-21(16-28-15-20)31-25-7-3-4-17-12-27-9-8-23(17)25/h1-9,11-13,15-16,19,29-30H,10,14,26H2/t19-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 220n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Nat Chem Biol 2: 265-73 (2006)


Article DOI: 10.1038/nchembio778
BindingDB Entry DOI: 10.7270/Q2TT4R56
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15050
PNG
(N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyr...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H24N4O2/c1-16(29)28-21-8-6-17(7-9-21)18-11-22(14-26-12-18)30-15-20(25)10-19-13-27-24-5-3-2-4-23(19)24/h2-9,11-14,20,27H,10,15,25H2,1H3,(H,28,29)/t20-/m0/s1
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n/an/a 227n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15022
PNG
(3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl...)
Show SMILES N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1
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n/an/a 257n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15037
PNG
(3-[(2S)-2-amino-3-{[5-(pyridin-4-yl)pyridin-3-yl]o...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccncc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H20N4O/c22-18(9-17-12-25-21-4-2-1-3-20(17)21)14-26-19-10-16(11-24-13-19)15-5-7-23-8-6-15/h1-8,10-13,18,25H,9,14,22H2/t18-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (human))
BDBM15067
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15065
PNG
(3-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-N-(is...)
Show SMILES N[C@H](CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H24N6/c26-19(10-18-13-30-24-6-2-1-5-22(18)24)14-29-20-11-21(16-28-15-20)31-25-7-3-4-17-12-27-9-8-23(17)25/h1-9,11-13,15-16,19,29-31H,10,14,26H2/t19-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15062
PNG
(3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(pyrid...)
Show SMILES N[C@H](COc1cnc2ccc(cc2c1)-c1ccncc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H22N4O/c26-21(12-20-14-28-25-4-2-1-3-23(20)25)16-30-22-13-19-11-18(5-6-24(19)29-15-22)17-7-9-27-10-8-17/h1-11,13-15,21,28H,12,16,26H2/t21-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050931
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Butyl-ureido)...)
Show SMILES CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H60N6O7/c1-6-7-23-45-44(57)50-37(27-32-19-13-9-14-20-32)42(54)47-34(24-29(2)3)39(51)48-36(26-31-17-11-8-12-18-31)41(53)46-35(25-30(4)5)40(52)49-38(43(55)56)28-33-21-15-10-16-22-33/h8-22,29-30,34-38H,6-7,23-28H2,1-5H3,(H,46,53)(H,47,54)(H,48,51)(H,49,52)(H,55,56)(H2,45,50,57)/t34-,35-,36+,37+,38+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050927
PNG
((S)-2-{(S)-2-[(S)-2-(3-Isopropenyl-ureido)-4-methy...)
Show SMILES CSCC[C@H](NC(=O)N=C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H36N4O5S/c1-15(2)13-19(22(30)27-20(23(31)32)14-17-9-7-6-8-10-17)26-21(29)18(11-12-34-5)28-24(33)25-16(3)4/h6-10,15,18-20H,11-14H2,1-5H3,(H,26,29)(H,27,30)(H,28,33)(H,31,32)/t18-,19-,20-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050945
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Adamantan-1-y...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C50H66N6O7/c1-31(2)20-39(52-47(60)42(26-34-16-10-6-11-17-34)55-49(63)56-50-28-36-22-37(29-50)24-38(23-36)30-50)44(57)53-41(25-33-14-8-5-9-15-33)46(59)51-40(21-32(3)4)45(58)54-43(48(61)62)27-35-18-12-7-13-19-35/h5-19,31-32,36-43H,20-30H2,1-4H3,(H,51,59)(H,52,60)(H,53,57)(H,54,58)(H,61,62)(H2,55,56,63)/t36?,37?,38?,39-,40-,41+,42+,43+,50?/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050934
PNG
((S)-2-{(S)-2-[(S)-2-(3-Butyl-ureido)-4-methylsulfa...)
Show SMILES CCCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H40N4O5S/c1-5-6-13-26-25(34)29-19(12-14-35-4)22(30)27-20(15-17(2)3)23(31)28-21(24(32)33)16-18-10-8-7-9-11-18/h7-11,17,19-21H,5-6,12-16H2,1-4H3,(H,27,30)(H,28,31)(H,32,33)(H2,26,29,34)/t19-,20-,21-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15022
PNG
(3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl...)
Show SMILES N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1
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n/an/a 354n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a 490n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Nat Chem Biol 2: 265-73 (2006)


Article DOI: 10.1038/nchembio778
BindingDB Entry DOI: 10.7270/Q2TT4R56
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050943
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Isopropyl-ure...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H58N6O7/c1-27(2)22-33(46-41(53)36(49-43(56)44-29(5)6)25-31-18-12-8-13-19-31)38(50)47-35(24-30-16-10-7-11-17-30)40(52)45-34(23-28(3)4)39(51)48-37(42(54)55)26-32-20-14-9-15-21-32/h7-21,27-29,33-37H,22-26H2,1-6H3,(H,45,52)(H,46,53)(H,47,50)(H,48,51)(H,54,55)(H2,44,49,56)/t33-,34-,35+,36+,37+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050942
PNG
((S)-2-[(R)-4-Methyl-2-((S)-2-{(R)-4-methyl-2-[(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H56N6O7/c1-30(2)25-36(49-44(56)39(28-33-19-11-6-12-20-33)52-46(59)47-35-23-15-8-16-24-35)41(53)50-38(27-32-17-9-5-10-18-32)43(55)48-37(26-31(3)4)42(54)51-40(45(57)58)29-34-21-13-7-14-22-34/h5-24,30-31,36-40H,25-29H2,1-4H3,(H,48,55)(H,49,56)(H,50,53)(H,51,54)(H,57,58)(H2,47,52,59)/t36-,37-,38+,39+,40+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 570n/an/an/an/a7.422



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050931
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Butyl-ureido)...)
Show SMILES CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H60N6O7/c1-6-7-23-45-44(57)50-37(27-32-19-13-9-14-20-32)42(54)47-34(24-29(2)3)39(51)48-36(26-31-17-11-8-12-18-31)41(53)46-35(25-30(4)5)40(52)49-38(43(55)56)28-33-21-15-10-16-22-33/h8-22,29-30,34-38H,6-7,23-28H2,1-5H3,(H,46,53)(H,47,54)(H,48,51)(H,49,52)(H,55,56)(H2,45,50,57)/t34-,35-,36+,37+,38+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050940
PNG
((S)-2-{(S)-2-[(S)-2-(3-Benzyl-ureido)-4-methylsulf...)
Show SMILES CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-19(2)16-23(26(34)31-24(27(35)36)17-20-10-6-4-7-11-20)30-25(33)22(14-15-38-3)32-28(37)29-18-21-12-8-5-9-13-21/h4-13,19,22-24H,14-18H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15021
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin...)
Show SMILES N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1ccccc1
Show InChI InChI=1S/C21H21N3O/c22-20(12-18-4-2-1-3-5-18)16-25-21-13-19(14-24-15-21)7-6-17-8-10-23-11-9-17/h1-11,13-15,20H,12,16,22H2/b7-6+/t20-/m0/s1
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n/an/a 690n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050940
PNG
((S)-2-{(S)-2-[(S)-2-(3-Benzyl-ureido)-4-methylsulf...)
Show SMILES CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-19(2)16-23(26(34)31-24(27(35)36)17-20-10-6-4-7-11-20)30-25(33)22(14-15-38-3)32-28(37)29-18-21-12-8-5-9-13-21/h4-13,19,22-24H,14-18H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50050926
PNG
((S)-2-((R)-4-Methyl-2-{(S)-2-[(R)-4-methyl-2-((S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H52N6O7/c1-25(2)20-30(43-38(50)33(46-40(41)53)23-28-16-10-6-11-17-28)35(47)44-32(22-27-14-8-5-9-15-27)37(49)42-31(21-26(3)4)36(48)45-34(39(51)52)24-29-18-12-7-13-19-29/h5-19,25-26,30-34H,20-24H2,1-4H3,(H,42,49)(H,43,50)(H,44,47)(H,45,48)(H,51,52)(H3,41,46,53)/t30-,31-,32+,33+,34+/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
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