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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50013601   
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 alpha/beta


(Homo sapiens (Human))
BDBM50132388
PNG
((3-Chloro-phenyl)-(6,7-dimethoxy-quinoxalin-2-yl)-...)
Show SMILES COc1cc2ncc(Nc3cccc(Cl)c3)nc2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)20-16(9-18-12)19-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,19,20)
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n/an/a 4n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132386
PNG
((6,7-Dimethoxy-quinoxalin-2-yl)-phenyl-amine | CHE...)
Show SMILES COc1cc2ncc(Nc3ccccc3)nc2cc1OC
Show InChI InChI=1S/C16H15N3O2/c1-20-14-8-12-13(9-15(14)21-2)19-16(10-17-12)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)
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n/an/a 6n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132392
PNG
((+/-)Bicyclo[2.2.1]hept-2-yl-(6,7-dimethoxy-quinox...)
Show SMILES COc1cc2ncc(NC3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|
Show InChI InChI=1S/C17H21N3O2/c1-21-15-7-13-14(8-16(15)22-2)20-17(9-18-13)19-12-6-10-3-4-11(12)5-10/h7-12H,3-6H2,1-2H3,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50404045
PNG
(CHEMBL2112463)
Show SMILES COc1cc2ncc(O[C@H]3CC4CCC3C4)nc2cc1OC |r,THB:8:9:15:13.12|
Show InChI InChI=1S/C17H20N2O3/c1-20-15-7-12-13(8-16(15)21-2)19-17(9-18-12)22-14-6-10-3-4-11(14)5-10/h7-11,14H,3-6H2,1-2H3/t10?,11?,14-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132395
PNG
((6,7-Dimethoxy-quinoxalin-2-yl)-(3-methyl-cyclohex...)
Show SMILES COc1cc2ncc(NC3CCCC(C)C3)nc2cc1OC
Show InChI InChI=1S/C17H23N3O2/c1-11-5-4-6-12(7-11)19-17-10-18-13-8-15(21-2)16(22-3)9-14(13)20-17/h8-12H,4-7H2,1-3H3,(H,19,20)
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n/an/a 41n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132387
PNG
((7-Methoxy-quinoxalin-2-yl)-phenyl-amine | CHEMBL1...)
Show SMILES COc1ccc2ncc(Nc3ccccc3)nc2c1
Show InChI InChI=1S/C15H13N3O/c1-19-12-7-8-13-14(9-12)18-15(10-16-13)17-11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 42n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132384
PNG
(2-Cyclohexyloxy-6,7-dimethoxy-quinoxaline | CHEMBL...)
Show SMILES COc1cc2ncc(OC3CCCCC3)nc2cc1OC
Show InChI InChI=1S/C16H20N2O3/c1-19-14-8-12-13(9-15(14)20-2)18-16(10-17-12)21-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
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n/an/a 65n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132391
PNG
(4-((R)-6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohe...)
Show SMILES COc1cc2ncc(N[C@H]3CC[C@H](O)CC3)nc2cc1OC |wU:12.12,wD:9.8,(-.13,-6.56,;-.13,-5.02,;1.2,-4.25,;2.53,-5.02,;3.88,-4.23,;5.21,-5,;6.54,-4.23,;6.54,-2.69,;7.85,-1.9,;9.2,-2.67,;9.2,-4.21,;10.53,-4.98,;11.86,-4.21,;13.19,-4.98,;11.86,-2.67,;10.53,-1.9,;5.19,-1.92,;3.88,-2.69,;2.53,-1.92,;1.2,-2.71,;-.13,-1.94,;-.13,-.4,)|
Show InChI InChI=1S/C16H21N3O3/c1-21-14-7-12-13(8-15(14)22-2)19-16(9-17-12)18-10-3-5-11(20)6-4-10/h7-11,20H,3-6H2,1-2H3,(H,18,19)/t10-,11-
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n/an/a 76n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132401
PNG
(Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine | CHE...)
Show SMILES COc1cc2ncc(NCc3ccccc3)nc2cc1OC
Show InChI InChI=1S/C17H17N3O2/c1-21-15-8-13-14(9-16(15)22-2)20-17(11-18-13)19-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,19,20)
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n/an/a 92n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132385
PNG
(CHEMBL104473 | Cyclohexyl-(6,7-dimethoxy-quinolin-...)
Show SMILES COc1cc2cc(NC3CCCCC3)cnc2cc1OC
Show InChI InChI=1S/C17H22N2O2/c1-20-16-9-12-8-14(19-13-6-4-3-5-7-13)11-18-15(12)10-17(16)21-2/h8-11,13,19H,3-7H2,1-2H3
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n/an/a 96n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132399
PNG
(CHEMBL107402 | Cyclohexyl-(6,7-dimethoxy-quinoxali...)
Show SMILES COc1cc2ncc(NC3CCCCC3)nc2cc1OC
Show InChI InChI=1S/C16H21N3O2/c1-20-14-8-12-13(9-15(14)21-2)19-16(10-17-12)18-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,19)
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n/an/a 124n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132402
PNG
(CHEMBL104616 | Cyclopentyl-(6,7-dimethoxy-quinoxal...)
Show SMILES COc1cc2ncc(NC3CCCC3)nc2cc1OC
Show InChI InChI=1S/C15H19N3O2/c1-19-13-7-11-12(8-14(13)20-2)18-15(9-16-11)17-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,17,18)
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n/an/a 128n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132394
PNG
(2-Cyclopentyloxy-6,7-dimethoxy-quinoxaline | CHEMB...)
Show SMILES COc1cc2ncc(OC3CCCC3)nc2cc1OC
Show InChI InChI=1S/C15H18N2O3/c1-18-13-7-11-12(8-14(13)19-2)17-15(9-16-11)20-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
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n/an/a 159n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132400
PNG
(2-Cyclopentylsulfanyl-6,7-dimethoxy-quinoxaline | ...)
Show SMILES COc1cc2ncc(SC3CCCC3)nc2cc1OC
Show InChI InChI=1S/C15H18N2O2S/c1-18-13-7-11-12(8-14(13)19-2)17-15(9-16-11)20-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
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n/an/a 226n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50404046
PNG
(CHEMBL2111666)
Show SMILES COc1cc2ncc(O[C@@H]3CC4CCC3C4)nc2cc1OC |r,THB:8:9:15:13.12|
Show InChI InChI=1S/C17H20N2O3/c1-20-15-7-12-13(8-16(15)21-2)19-17(9-18-12)22-14-6-10-3-4-11(14)5-10/h7-11,14H,3-6H2,1-2H3/t10?,11?,14-/m1/s1
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n/an/a 265n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132396
PNG
((6,7-Dimethyl-quinoxalin-2-yl)-phenyl-amine | CHEM...)
Show SMILES Cc1cc2ncc(Nc3ccccc3)nc2cc1C
Show InChI InChI=1S/C16H15N3/c1-11-8-14-15(9-12(11)2)19-16(10-17-14)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,19)
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n/an/a 340n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50039082
PNG
(6,7-Dimethoxy-3-thiophen-3-yl-quinoline | CHEMBL66...)
Show SMILES COc1cc2cc(cnc2cc1OC)-c1ccsc1
Show InChI InChI=1S/C15H13NO2S/c1-17-14-6-11-5-12(10-3-4-19-9-10)8-16-13(11)7-15(14)18-2/h3-9H,1-2H3
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n/an/a 461n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132383
PNG
(3-Cyclohexyloxy-6,7-dimethoxy-quinoline | CHEMBL10...)
Show SMILES COc1cc2cc(OC3CCCCC3)cnc2cc1OC
Show InChI InChI=1S/C17H21NO3/c1-19-16-9-12-8-14(21-13-6-4-3-5-7-13)11-18-15(12)10-17(16)20-2/h8-11,13H,3-7H2,1-2H3
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n/an/a 601n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132390
PNG
((-)(S)-Bicyclo[2.2.1]hept-2-yl-(6,7-dimethoxy-quin...)
Show SMILES COc1cc2ncc(N[C@H]3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|
Show InChI InChI=1S/C17H21N3O2/c1-21-15-7-13-14(8-16(15)22-2)20-17(9-18-13)19-12-6-10-3-4-11(12)5-10/h7-12H,3-6H2,1-2H3,(H,19,20)/t10?,11?,12-/m0/s1
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n/an/a 742n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132397
PNG
((+)(R)-Bicyclo[2.2.1]hept-2-yl-(6,7-dimethoxy-quin...)
Show SMILES COc1cc2ncc(N[C@@H]3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|
Show InChI InChI=1S/C17H21N3O2/c1-21-15-7-13-14(8-16(15)22-2)20-17(9-18-13)19-12-6-10-3-4-11(12)5-10/h7-12H,3-6H2,1-2H3,(H,19,20)/t10?,11?,12-/m1/s1
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n/an/a 879n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132397
PNG
((+)(R)-Bicyclo[2.2.1]hept-2-yl-(6,7-dimethoxy-quin...)
Show SMILES COc1cc2ncc(N[C@@H]3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|
Show InChI InChI=1S/C17H21N3O2/c1-21-15-7-13-14(8-16(15)22-2)20-17(9-18-13)19-12-6-10-3-4-11(12)5-10/h7-12H,3-6H2,1-2H3,(H,19,20)/t10?,11?,12-/m1/s1
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n/an/a 879n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132398
PNG
((6-Methoxy-quinoxalin-2-yl)-phenyl-amine | CHEMBL1...)
Show SMILES COc1ccc2nc(Nc3ccccc3)cnc2c1
Show InChI InChI=1S/C15H13N3O/c1-19-12-7-8-13-14(9-12)16-10-15(18-13)17-11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
PDB

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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50132393
PNG
(CHEMBL322428 | Phenyl-quinoxalin-2-yl-amine)
Show SMILES N(c1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C14H11N3/c1-2-6-11(7-3-1)16-14-10-15-12-8-4-5-9-13(12)17-14/h1-10H,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3091-5 (2003)


BindingDB Entry DOI: 10.7270/Q2N8796B
More data for this
Ligand-Target Pair