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Compile Data Set for Download or QSAR

Found 404 hits with Last Name = 'ghiron' and Initial = 'c'   
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
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195589
PNG
(2-amino-1,5-dihydro-7-[[(2S,4R)-2-(hydroxymethyl)-...)
Show SMILES Nc1nc2c(CN3C[C@H](O)C[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O3/c13-12-15-9-6(2-14-10(9)11(20)16-12)3-17-4-8(19)1-7(17)5-18/h2,7-8,14,18-19H,1,3-5H2,(H3,13,15,16,20)/t7-,8+/m0/s1
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195587
PNG
(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195593
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(hydroxymethyl)-1-p...)
Show SMILES Nc1nc2c(CN3CCC[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O2/c13-12-15-9-7(4-14-10(9)11(19)16-12)5-17-3-1-2-8(17)6-18/h4,8,14,18H,1-3,5-6H2,(H3,13,15,16,19)/t8-/m0/s1
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195597
PNG
(2-amino-1,5-dihydro-7-[[N,N-bis-[2-(hydroxy)ethyl]...)
Show SMILES Nc1nc2c(CN(CCO)CCO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H17N5O3/c12-11-14-8-7(5-13-9(8)10(19)15-11)6-16(1-3-17)2-4-18/h5,13,17-18H,1-4,6H2,(H3,12,14,15,19)
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195591
PNG
(2-amino-1,5-dihydro-7-[[[2-(hydroxy)ethyl]amino]me...)
Show SMILES Nc1nc2c(CNCCO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O2/c10-9-13-6-5(3-11-1-2-15)4-12-7(6)8(16)14-9/h4,11-12,15H,1-3H2,(H3,10,13,14,16)
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10.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195595
PNG
(2-amino-1,5-dihydro-7-[[[N-[2-(hydroxy)ethyl]-N-me...)
Show SMILES CN(CCO)Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C10H15N5O2/c1-15(2-3-16)5-6-4-12-8-7(6)13-10(11)14-9(8)17/h4,12,16H,2-3,5H2,1H3,(H3,11,13,14,17)
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30.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319673
PNG
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)
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44n/an/an/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)


Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195588
PNG
(2-amino-1,5-dihydro-7-[[N-[ethyl]-N-[2-(hydroxy)et...)
Show SMILES CCN(CCO)Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H17N5O2/c1-2-16(3-4-17)6-7-5-13-9-8(7)14-11(12)15-10(9)18/h5,13,17H,2-4,6H2,1H3,(H3,12,14,15,18)
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112n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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260n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat rat alpha7 nAChR expressed in rat GH4C1 cells


Bioorg Med Chem 17: 5247-58 (2009)


Article DOI: 10.1016/j.bmc.2009.05.040
BindingDB Entry DOI: 10.7270/Q29K4B8H
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195594
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(methoxymethyl)-1-p...)
Show SMILES COC[C@@H]1CCCN1Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C13H19N5O2/c1-20-7-9-3-2-4-18(9)6-8-5-15-11-10(8)16-13(14)17-12(11)19/h5,9,15H,2-4,6-7H2,1H3,(H3,14,16,17,19)/t9-/m0/s1
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306n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195590
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(aminomethyl)-1-pyr...)
Show SMILES NC[C@@H]1CCCN1Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C12H18N6O/c13-4-8-2-1-3-18(8)6-7-5-15-10-9(7)16-12(14)17-11(10)19/h5,8,15H,1-4,6,13H2,(H3,14,16,17,19)/t8-/m0/s1
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306n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195596
PNG
(2-amino-1,5-dihydro-7-[[(2R)-2-(hydroxymethyl)-1-p...)
Show SMILES Nc1nc2c(CN3CCC[C@@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O2/c13-12-15-9-7(4-14-10(9)11(19)16-12)5-17-3-1-2-8(17)6-18/h4,8,14,18H,1-3,5-6H2,(H3,13,15,16,19)/t8-/m1/s1
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316n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399292
PNG
(CHEMBL2180842)
Show SMILES Fc1cncc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1
Show InChI InChI=1S/C17H22FN5O/c18-14-9-13(11-19-12-14)15-10-16(22-21-15)20-17(24)5-4-8-23-6-2-1-3-7-23/h9-12H,1-8H2,(H2,20,21,22,24)
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390n/an/an/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from rat alpha7 nAchR expressed in rat GH4C1 cell membranes


J Med Chem 55: 10277-81 (2012)


Article DOI: 10.1021/jm3013568
BindingDB Entry DOI: 10.7270/Q2DJ5GRD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399293
PNG
(CHEMBL2086582)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1
Show InChI InChI=1S/C22H31N5O3/c1-17(28)27-13-5-12-26(14-15-27)11-4-3-6-22(29)23-21-16-20(24-25-21)18-7-9-19(30-2)10-8-18/h7-10,16H,3-6,11-15H2,1-2H3,(H2,23,24,25,29)
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660n/an/an/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in GH4C1 cells after 1 hr by TopCount method


J Med Chem 55: 4806-23 (2012)


Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195592
PNG
(2-amino-1,5-dihydro-7-[[3-(hydroxymethyl)-1-piperi...)
Show SMILES Nc1nc2c(CN3CCCC(CO)C3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H19N5O2/c14-13-16-10-9(4-15-11(10)12(20)17-13)6-18-3-1-2-8(5-18)7-19/h4,8,15,19H,1-3,5-7H2,(H3,14,16,17,20)
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2.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50319673
PNG
(1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)
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6.00E+3n/an/an/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Binding affinity to 5HT4 receptor


J Med Chem 53: 4379-89 (2010)


Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17744
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[3-(4-me...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C37H46N6O7/c1-25-10-8-11-26(2)34(25)50-37(44)43(29-13-12-28(45-4)24-30(29)46-5)33-14-15-38-36(40-33)39-27-22-31(47-6)35(32(23-27)48-7)49-21-9-16-42-19-17-41(3)18-20-42/h8,10-15,22-24H,9,16-21H2,1-7H3,(H,38,39,40)
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n/an/a 0.600n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17740
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(4-me...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C36H44N6O7/c1-24-9-8-10-25(2)33(24)49-36(43)42(28-12-11-27(44-4)23-29(28)45-5)32-13-14-37-35(39-32)38-26-21-30(46-6)34(31(22-26)47-7)48-20-19-41-17-15-40(3)16-18-41/h8-14,21-23H,15-20H2,1-7H3,(H,37,38,39)
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n/an/a 1n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17735
PNG
(2,6-dimethylphenyl N-(2-{[3,5-dimethoxy-4-(4-methy...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C34H40N6O6/c1-22-9-8-10-23(2)32(22)46-34(41)40(26-12-11-25(42-4)21-27(26)43-5)30-13-14-35-33(37-30)36-24-19-28(44-6)31(29(20-24)45-7)39-17-15-38(3)16-18-39/h8-14,19-21H,15-18H2,1-7H3,(H,35,36,37)
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n/an/a 1n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50374627
PNG
(CHEMBL270692)
Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H27N7O3/c1-16-9-8-10-17(2)23(16)32-27-31-19-11-6-7-12-20(19)34(27)26-29-15-28-25(33-26)30-18-13-21(35-3)24(37-5)22(14-18)36-4/h6-15H,1-5H3,(H,31,32)(H,28,29,30,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17726
PNG
(2,6-dimethylphenyl N-(2-methoxyphenyl)-N-(2-{[4-(4...)
Show SMILES COc1ccccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C31H34N6O3/c1-22-8-7-9-23(2)29(22)40-31(38)37(26-10-5-6-11-27(26)39-4)28-16-17-32-30(34-28)33-24-12-14-25(15-13-24)36-20-18-35(3)19-21-36/h5-17H,18-21H2,1-4H3,(H,32,33,34)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17728
PNG
(2,6-dimethylphenyl N-[4-fluoro-2-(propan-2-yloxy)p...)
Show SMILES CC(C)Oc1cc(F)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C33H37FN6O3/c1-22(2)42-29-21-25(34)9-14-28(29)40(33(41)43-31-23(3)7-6-8-24(31)4)30-15-16-35-32(37-30)36-26-10-12-27(13-11-26)39-19-17-38(5)18-20-39/h6-16,21-22H,17-20H2,1-5H3,(H,35,36,37)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17730
PNG
(2,6-dimethylphenyl N-[(2,5-dimethoxyphenyl)methyl]...)
Show SMILES COc1ccc(OC)c(CN(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c1
Show InChI InChI=1S/C33H38N6O4/c1-23-7-6-8-24(2)31(23)43-33(40)39(22-25-21-28(41-4)13-14-29(25)42-5)30-15-16-34-32(36-30)35-26-9-11-27(12-10-26)38-19-17-37(3)18-20-38/h6-16,21H,17-20,22H2,1-5H3,(H,34,35,36)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17734
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C33H38N6O5/c1-22-8-7-9-23(2)31(22)44-33(40)39(27-13-11-25(41-4)21-29(27)43-6)30-14-15-34-32(36-30)35-24-10-12-26(28(20-24)42-5)38-18-16-37(3)17-19-38/h7-15,20-21H,16-19H2,1-6H3,(H,34,35,36)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17735
PNG
(2,6-dimethylphenyl N-(2-{[3,5-dimethoxy-4-(4-methy...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C34H40N6O6/c1-22-9-8-10-23(2)32(22)46-34(41)40(26-12-11-25(42-4)21-27(26)43-5)30-13-14-35-33(37-30)36-24-19-28(44-6)31(29(20-24)45-7)39-17-15-38(3)16-18-39/h8-14,19-21H,15-18H2,1-7H3,(H,35,36,37)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17736
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C32H35FN6O4/c1-21-7-6-8-22(2)30(21)43-32(40)39(27-12-10-24(41-4)20-28(27)42-5)29-13-14-34-31(36-29)35-23-9-11-26(25(33)19-23)38-17-15-37(3)16-18-38/h6-14,19-20H,15-18H2,1-5H3,(H,34,35,36)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17737
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)c(OC)c1
Show InChI InChI=1S/C31H35N5O5/c1-21-8-7-9-22(2)29(21)41-31(37)36(26-15-14-25(38-5)20-27(26)39-6)28-16-17-32-30(34-28)33-23-10-12-24(13-11-23)40-19-18-35(3)4/h7-17,20H,18-19H2,1-6H3,(H,32,33,34)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17738
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1
Show InChI InChI=1S/C32H37N5O5/c1-22-9-7-10-23(2)30(22)42-32(38)37(27-16-15-26(39-5)21-28(27)40-6)29-17-18-33-31(35-29)34-24-11-13-25(14-12-24)41-20-8-19-36(3)4/h7,9-18,21H,8,19-20H2,1-6H3,(H,33,34,35)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17739
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C34H39FN6O5/c1-23-7-6-8-24(2)32(23)46-34(42)41(28-11-10-26(43-4)22-30(28)44-5)31-13-14-36-33(38-31)37-25-9-12-29(27(35)21-25)45-20-19-40-17-15-39(3)16-18-40/h6-14,21-22H,15-20H2,1-5H3,(H,36,37,38)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17740
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(4-me...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C36H44N6O7/c1-24-9-8-10-25(2)33(24)49-36(43)42(28-12-11-27(44-4)23-29(28)45-5)32-13-14-37-35(39-32)38-26-21-30(46-6)34(31(22-26)47-7)48-20-19-41-17-15-40(3)16-18-41/h8-14,21-23H,15-20H2,1-7H3,(H,37,38,39)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17741
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(morp...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O8/c1-23-8-7-9-24(2)32(23)48-35(41)40(27-11-10-26(42-3)22-28(27)43-4)31-12-13-36-34(38-31)37-25-20-29(44-5)33(30(21-25)45-6)47-19-16-39-14-17-46-18-15-39/h7-13,20-22H,14-19H2,1-6H3,(H,36,37,38)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17742
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)cc3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O5/c1-25-10-8-11-26(2)33(25)45-35(41)40(30-17-16-29(42-3)24-31(30)43-4)32-18-19-36-34(38-32)37-27-12-14-28(15-13-27)44-23-9-22-39-20-6-5-7-21-39/h8,10-19,24H,5-7,9,20-23H2,1-4H3,(H,36,37,38)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17743
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C36H44N6O6/c1-25-9-7-10-26(2)34(25)48-36(43)42(29-13-12-28(44-4)24-31(29)45-5)33-15-16-37-35(39-33)38-27-11-14-30(32(23-27)46-6)47-22-8-17-41-20-18-40(3)19-21-41/h7,9-16,23-24H,8,17-22H2,1-6H3,(H,37,38,39)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17745
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41FN6O5/c1-24-8-6-9-25(2)33(24)47-35(43)42(29-12-11-27(44-4)23-31(29)45-5)32-14-15-37-34(39-32)38-26-10-13-30(28(36)22-26)46-21-7-16-41-19-17-40(3)18-20-41/h6,8-15,22-23H,7,16-21H2,1-5H3,(H,37,38,39)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17730
PNG
(2,6-dimethylphenyl N-[(2,5-dimethoxyphenyl)methyl]...)
Show SMILES COc1ccc(OC)c(CN(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c1
Show InChI InChI=1S/C33H38N6O4/c1-23-7-6-8-24(2)31(23)43-33(40)39(22-25-21-28(41-4)13-14-29(25)42-5)30-15-16-34-32(36-30)35-26-9-11-27(12-10-26)38-19-17-37(3)18-20-38/h6-16,21H,17-20,22H2,1-5H3,(H,34,35,36)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17744
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[3-(4-me...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C37H46N6O7/c1-25-10-8-11-26(2)34(25)50-37(44)43(29-13-12-28(45-4)24-30(29)46-5)33-14-15-38-36(40-33)39-27-22-31(47-6)35(32(23-27)48-7)49-21-9-16-42-19-17-41(3)18-20-42/h8,10-15,22-24H,9,16-21H2,1-7H3,(H,38,39,40)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17736
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C32H35FN6O4/c1-21-7-6-8-22(2)30(21)43-32(40)39(27-12-10-24(41-4)20-28(27)42-5)29-13-14-34-31(36-29)35-23-9-11-26(25(33)19-23)38-17-15-37(3)16-18-38/h6-14,19-20H,15-18H2,1-5H3,(H,34,35,36)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17741
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(morp...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O8/c1-23-8-7-9-24(2)32(23)48-35(41)40(27-11-10-26(42-3)22-28(27)43-4)31-12-13-36-34(38-31)37-25-20-29(44-5)33(30(21-25)45-6)47-19-16-39-14-17-46-18-15-39/h7-13,20-22H,14-19H2,1-6H3,(H,36,37,38)
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n/an/a 2n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17743
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C36H44N6O6/c1-25-9-7-10-26(2)34(25)48-36(43)42(29-13-12-28(44-4)24-31(29)45-5)33-15-16-37-35(39-33)38-27-11-14-30(32(23-27)46-6)47-22-8-17-41-20-18-40(3)19-21-41/h7,9-16,23-24H,8,17-22H2,1-6H3,(H,37,38,39)
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n/an/a 2n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195589
PNG
(2-amino-1,5-dihydro-7-[[(2S,4R)-2-(hydroxymethyl)-...)
Show SMILES Nc1nc2c(CN3C[C@H](O)C[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O3/c13-12-15-9-6(2-14-10(9)11(20)16-12)3-17-4-8(19)1-7(17)5-18/h2,7-8,14,18-19H,1,3-5H2,(H3,13,15,16,20)/t7-,8+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17729
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c(OC)c1
Show InChI InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35)
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n/an/a 2n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17746
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H40FN5O5/c1-24-10-8-11-25(2)33(24)46-35(42)41(29-14-13-27(43-3)23-31(29)44-4)32-16-17-37-34(39-32)38-26-12-15-30(28(36)22-26)45-21-9-20-40-18-6-5-7-19-40/h8,10-17,22-23H,5-7,9,18-21H2,1-4H3,(H,37,38,39)
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n/an/a 2n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17734
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C33H38N6O5/c1-22-8-7-9-23(2)31(22)44-33(40)39(27-13-11-25(41-4)21-29(27)43-6)30-14-15-34-32(36-30)35-24-10-12-26(28(20-24)42-5)38-18-16-37(3)17-19-38/h7-15,20-21H,16-19H2,1-6H3,(H,34,35,36)
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n/an/a 2n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17727
PNG
(2,6-dimethylphenyl N-(4-methoxyphenyl)-N-(2-{[4-(4...)
Show SMILES COc1ccc(cc1)N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C31H34N6O3/c1-22-6-5-7-23(2)29(22)40-31(38)37(26-12-14-27(39-4)15-13-26)28-16-17-32-30(34-28)33-24-8-10-25(11-9-24)36-20-18-35(3)19-21-36/h5-17H,18-21H2,1-4H3,(H,32,33,34)
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n/an/a 3n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195587
PNG
(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50374627
PNG
(CHEMBL270692)
Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H27N7O3/c1-16-9-8-10-17(2)23(16)32-27-31-19-11-6-7-12-20(19)34(27)26-29-15-28-25(33-26)30-18-13-21(35-3)24(37-5)22(14-18)36-4/h6-15H,1-5H3,(H,31,32)(H,28,29,30,33)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17738
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1
Show InChI InChI=1S/C32H37N5O5/c1-22-9-7-10-23(2)30(22)42-32(38)37(27-16-15-26(39-5)21-28(27)40-6)29-17-18-33-31(35-29)34-24-11-13-25(14-12-24)41-20-8-19-36(3)4/h7,9-18,21H,8,19-20H2,1-6H3,(H,33,34,35)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17726
PNG
(2,6-dimethylphenyl N-(2-methoxyphenyl)-N-(2-{[4-(4...)
Show SMILES COc1ccccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C31H34N6O3/c1-22-8-7-9-23(2)29(22)40-31(38)37(26-10-5-6-11-27(26)39-4)28-16-17-32-30(34-28)33-24-12-14-25(15-13-24)36-20-18-35(3)19-21-36/h5-17H,18-21H2,1-4H3,(H,32,33,34)
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n/an/a 4n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17737
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)c(OC)c1
Show InChI InChI=1S/C31H35N5O5/c1-21-8-7-9-22(2)29(21)41-31(37)36(26-15-14-25(38-5)20-27(26)39-6)28-16-17-32-30(34-28)33-23-10-12-24(13-11-23)40-19-18-35(3)4/h7-17,20H,18-19H2,1-6H3,(H,32,33,34)
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n/an/a 4n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195593
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(hydroxymethyl)-1-p...)
Show SMILES Nc1nc2c(CN3CCC[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O2/c13-12-15-9-7(4-14-10(9)11(19)16-12)5-17-3-1-2-8(17)6-18/h4,8,14,18H,1-3,5-6H2,(H3,13,15,16,19)/t8-/m0/s1
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
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