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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 656   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4876
PNG
(1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
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n/an/a 600n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4876
PNG
(1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
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n/an/a 700n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4878
PNG
(1-(3,5-Dimethylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
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n/an/a 800n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4874
PNG
(1-(3-Methoxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES COc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4O/c1-26-17-6-4-5-16(14-17)23-21-19-8-3-2-7-18(19)20(24-25-21)13-15-9-11-22-12-10-15/h2-12,14H,13H2,1H3,(H,23,25)
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n/an/a 800n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4872
PNG
(1-(4-tert-Butylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES CC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H24N4/c1-24(2,3)18-8-10-19(11-9-18)26-23-21-7-5-4-6-20(21)22(27-28-23)16-17-12-14-25-15-13-17/h4-15H,16H2,1-3H3,(H,26,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4871
PNG
(1-(3-Methylanilino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4873
PNG
(1-(4-Biphenylamino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES C(c1ccncc1)c1nnc(Nc2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H20N4/c1-2-6-20(7-3-1)21-10-12-22(13-11-21)28-26-24-9-5-4-8-23(24)25(29-30-26)18-19-14-16-27-17-15-19/h1-17H,18H2,(H,28,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4873
PNG
(1-(4-Biphenylamino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES C(c1ccncc1)c1nnc(Nc2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H20N4/c1-2-6-20(7-3-1)21-10-12-22(13-11-21)28-26-24-9-5-4-8-23(24)25(29-30-26)18-19-14-16-27-17-15-19/h1-17H,18H2,(H,28,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4877
PNG
(1-(3-Methoxy-4-chloroanilino)-4-(4-pyridylmethyl)-...)
Show SMILES COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H17ClN4O/c1-27-20-13-15(6-7-18(20)22)24-21-17-5-3-2-4-16(17)19(25-26-21)12-14-8-10-23-11-9-14/h2-11,13H,12H2,1H3,(H,24,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4872
PNG
(1-(4-tert-Butylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES CC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H24N4/c1-24(2,3)18-8-10-19(11-9-18)26-23-21-7-5-4-6-20(21)22(27-28-23)16-17-12-14-25-15-13-17/h4-15H,16H2,1-3H3,(H,26,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4878
PNG
(1-(3,5-Dimethylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4871
PNG
(1-(3-Methylanilino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4879
PNG
(1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylm...)
Show SMILES FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4870
PNG
(1-Anilino-4-(4-pyridylmethyl)phthalazine Dihydroch...)
Show SMILES C(c1ccncc1)c1nnc(Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16N4/c1-2-6-16(7-3-1)22-20-18-9-5-4-8-17(18)19(23-24-20)14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4874
PNG
(1-(3-Methoxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES COc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4O/c1-26-17-6-4-5-16(14-17)23-21-19-8-3-2-7-18(19)20(24-25-21)13-15-9-11-22-12-10-15/h2-12,14H,13H2,1H3,(H,23,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4877
PNG
(1-(3-Methoxy-4-chloroanilino)-4-(4-pyridylmethyl)-...)
Show SMILES COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H17ClN4O/c1-27-20-13-15(6-7-18(20)22)24-21-17-5-3-2-4-16(17)19(25-26-21)12-14-8-10-23-11-9-14/h2-11,13H,12H2,1H3,(H,24,26)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4875
PNG
(1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES Oc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C20H16N4O/c25-16-5-3-4-15(13-16)22-20-18-7-2-1-6-17(18)19(23-24-20)12-14-8-10-21-11-9-14/h1-11,13,25H,12H2,(H,22,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4875
PNG
(1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES Oc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C20H16N4O/c25-16-5-3-4-15(13-16)22-20-18-7-2-1-6-17(18)19(23-24-20)12-14-8-10-21-11-9-14/h1-11,13,25H,12H2,(H,22,24)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4881
PNG
(1-(3-Trifluormethyl-5-fluoroanilino)-4-(4-pyridylm...)
Show SMILES Fc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H14F4N4/c22-15-10-14(21(23,24)25)11-16(12-15)27-20-18-4-2-1-3-17(18)19(28-29-20)9-13-5-7-26-8-6-13/h1-8,10-12H,9H2,(H,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4870
PNG
(1-Anilino-4-(4-pyridylmethyl)phthalazine Dihydroch...)
Show SMILES C(c1ccncc1)c1nnc(Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16N4/c1-2-6-16(7-3-1)22-20-18-9-5-4-8-17(18)19(23-24-20)14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4880
PNG
(1-(3-Trifluormethyl-5-bromoanilino)-4-(4-pyridylme...)
Show SMILES FC(F)(F)c1cc(Br)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H14BrF3N4/c22-15-10-14(21(23,24)25)11-16(12-15)27-20-18-4-2-1-3-17(18)19(28-29-20)9-13-5-7-26-8-6-13/h1-8,10-12H,9H2,(H,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair