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Articleid 50029679

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50286755
PNG
(8-Methoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-...)
Show SMILES COc1ccc2Cc3c(Nc2c1)nc[nH]c3=O
Show InChI InChI=1S/C12H11N3O2/c1-17-8-3-2-7-4-9-11(15-10(7)5-8)13-6-14-12(9)16/h2-3,5-6H,4H2,1H3,(H2,13,14,15,16)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50132155
PNG
(7,8-Dimethoxy-5,10-dihydro-1H-pyrimido[4,5-b]quino...)
Show SMILES COc1cc2Cc3c(Nc2cc1OC)nc[nH]c3=O
Show InChI InChI=1S/C13H13N3O3/c1-18-10-4-7-3-8-12(14-6-15-13(8)17)16-9(7)5-11(10)19-2/h4-6H,3H2,1-2H3,(H2,14,15,16,17)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50286752
PNG
(7,8-Dimethoxy-3-methyl-5,10-dihydro-3H-pyrimido[4,...)
Show SMILES COc1cc2Cc3c(Nc2cc1OC)ncn(C)c3=O
Show InChI InChI=1S/C14H15N3O3/c1-17-7-15-13-9(14(17)18)4-8-5-11(19-2)12(20-3)6-10(8)16-13/h5-7,16H,4H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50286758
PNG
(7-Methoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-...)
Show SMILES COc1ccc2Nc3nc[nH]c(=O)c3Cc2c1
Show InChI InChI=1S/C12H11N3O2/c1-17-8-2-3-10-7(4-8)5-9-11(15-10)13-6-14-12(9)16/h2-4,6H,5H2,1H3,(H2,13,14,15,16)
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n/an/a 3.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50286753
PNG
(5,10-Dihydro-3H-pyrimido[4,5-b]quinolin-4-one | CH...)
Show SMILES O=c1[nH]cnc2Nc3ccccc3Cc12
Show InChI InChI=1S/C11H9N3O/c15-11-8-5-7-3-1-2-4-9(7)14-10(8)12-6-13-11/h1-4,6H,5H2,(H2,12,13,14,15)
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n/an/a 9.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50132157
PNG
(7,8-Dimethoxy-1H-pyrimido[4,5-b]quinolin-4-one | 7...)
Show SMILES COc1cc2cc3c(nc[nH]c3=O)nc2cc1OC
Show InChI InChI=1S/C13H11N3O3/c1-18-10-4-7-3-8-12(14-6-15-13(8)17)16-9(7)5-11(10)19-2/h3-6H,1-2H3,(H,14,15,16,17)
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n/an/a 3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50286759
PNG
(2-Ethyl-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-...)
Show SMILES CCc1nc2Nc3ccccc3Cc2c(=O)[nH]1
Show InChI InChI=1S/C13H13N3O/c1-2-11-15-12-9(13(17)16-11)7-8-5-3-4-6-10(8)14-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17)
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n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50132155
PNG
(7,8-Dimethoxy-5,10-dihydro-1H-pyrimido[4,5-b]quino...)
Show SMILES COc1cc2Cc3c(Nc2cc1OC)nc[nH]c3=O
Show InChI InChI=1S/C13H13N3O3/c1-18-10-4-7-3-8-12(14-6-15-13(8)17)16-9(7)5-11(10)19-2/h4-6H,3H2,1-2H3,(H2,14,15,16,17)
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n/an/a 7.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor (EGFR)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50286757
PNG
(7,8-Dimethoxy-3-(2-morpholin-4-yl-ethyl)-5,10-dihy...)
Show SMILES COc1cc2Cc3c(Nc2cc1OC)ncn(CCN1CCOCC1)c3=O
Show InChI InChI=1S/C19H24N4O4/c1-25-16-10-13-9-14-18(21-15(13)11-17(16)26-2)20-12-23(19(14)24)4-3-22-5-7-27-8-6-22/h10-12,21H,3-9H2,1-2H3
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n/an/a 1.05E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50286752
PNG
(7,8-Dimethoxy-3-methyl-5,10-dihydro-3H-pyrimido[4,...)
Show SMILES COc1cc2Cc3c(Nc2cc1OC)ncn(C)c3=O
Show InChI InChI=1S/C14H15N3O3/c1-17-7-15-13-9(14(17)18)4-8-5-11(19-2)12(20-3)6-10(8)16-13/h5-7,16H,4H2,1-3H3
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n/an/a 1.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor (EGFR)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50286751
PNG
(3,9-Dihydro-pyrimido[4,5-b]indol-4-one | CHEMBL267...)
Show SMILES O=c1[nH]cnc2[nH]c3ccccc3c12
Show InChI InChI=1S/C10H7N3O/c14-10-8-6-3-1-2-4-7(6)13-9(8)11-5-12-10/h1-5H,(H2,11,12,13,14)
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n/an/a 2.93E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50286754
PNG
(10-Ethyl-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4...)
Show SMILES CCN1c2ccccc2Cc2c1nc[nH]c2=O
Show InChI InChI=1S/C13H13N3O/c1-2-16-11-6-4-3-5-9(11)7-10-12(16)14-8-15-13(10)17/h3-6,8H,2,7H2,1H3,(H,14,15,17)
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n/an/a 5.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50132157
PNG
(7,8-Dimethoxy-1H-pyrimido[4,5-b]quinolin-4-one | 7...)
Show SMILES COc1cc2cc3c(nc[nH]c3=O)nc2cc1OC
Show InChI InChI=1S/C13H11N3O3/c1-18-10-4-7-3-8-12(14-6-15-13(8)17)16-9(7)5-11(10)19-2/h3-6H,1-2H3,(H,14,15,16,17)
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n/an/a>7.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50286754
PNG
(10-Ethyl-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4...)
Show SMILES CCN1c2ccccc2Cc2c1nc[nH]c2=O
Show InChI InChI=1S/C13H13N3O/c1-2-16-11-6-4-3-5-9(11)7-10-12(16)14-8-15-13(10)17/h3-6,8H,2,7H2,1H3,(H,14,15,17)
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n/an/a>9.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50286757
PNG
(7,8-Dimethoxy-3-(2-morpholin-4-yl-ethyl)-5,10-dihy...)
Show SMILES COc1cc2Cc3c(Nc2cc1OC)ncn(CCN1CCOCC1)c3=O
Show InChI InChI=1S/C19H24N4O4/c1-25-16-10-13-9-14-18(21-15(13)11-17(16)26-2)20-12-23(19(14)24)4-3-22-5-7-27-8-6-22/h10-12,21H,3-9H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50286756
PNG
(6-Phenylamino-3H-pyrimidin-4-one | CHEMBL7052)
Show SMILES O=c1cc(Nc2ccccc2)nc[nH]1
Show InChI InChI=1S/C10H9N3O/c14-10-6-9(11-7-12-10)13-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
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n/an/a 1.55E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cellular oncogene pp60 c-src

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50286753
PNG
(5,10-Dihydro-3H-pyrimido[4,5-b]quinolin-4-one | CH...)
Show SMILES O=c1[nH]cnc2Nc3ccccc3Cc12
Show InChI InChI=1S/C11H9N3O/c15-11-8-5-7-3-1-2-4-9(7)14-10(8)12-6-13-11/h1-4,6H,5H2,(H2,12,13,14,15)
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n/an/a>3.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50286759
PNG
(2-Ethyl-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-...)
Show SMILES CCc1nc2Nc3ccccc3Cc2c(=O)[nH]1
Show InChI InChI=1S/C13H13N3O/c1-2-11-15-12-9(13(17)16-11)7-8-5-3-4-6-10(8)14-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17)
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n/an/a>3.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50286755
PNG
(8-Methoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-...)
Show SMILES COc1ccc2Cc3c(Nc2c1)nc[nH]c3=O
Show InChI InChI=1S/C12H11N3O2/c1-17-8-3-2-7-4-9-11(15-10(7)5-8)13-6-14-12(9)16/h2-3,5-6H,4H2,1H3,(H2,13,14,15,16)
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n/an/a>3.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50286758
PNG
(7-Methoxy-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-...)
Show SMILES COc1ccc2Nc3nc[nH]c(=O)c3Cc2c1
Show InChI InChI=1S/C12H11N3O2/c1-17-8-2-3-10-7(4-8)5-9-11(15-10)13-6-14-12(9)16/h2-4,6H,5H2,1H3,(H2,13,14,15,16)
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n/an/a>3.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50286752
PNG
(7,8-Dimethoxy-3-methyl-5,10-dihydro-3H-pyrimido[4,...)
Show SMILES COc1cc2Cc3c(Nc2cc1OC)ncn(C)c3=O
Show InChI InChI=1S/C14H15N3O3/c1-17-7-15-13-9(14(17)18)4-8-5-11(19-2)12(20-3)6-10(8)16-13/h5-7,16H,4H2,1-3H3
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antibodypedia
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n/an/a>3.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50132155
PNG
(7,8-Dimethoxy-5,10-dihydro-1H-pyrimido[4,5-b]quino...)
Show SMILES COc1cc2Cc3c(Nc2cc1OC)nc[nH]c3=O
Show InChI InChI=1S/C13H13N3O3/c1-18-10-4-7-3-8-12(14-6-15-13(8)17)16-9(7)5-11(10)19-2/h4-6H,3H2,1-2H3,(H2,14,15,16,17)
PDB

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UniProtKB/SwissProt

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Article
n/an/a>3.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50286756
PNG
(6-Phenylamino-3H-pyrimidin-4-one | CHEMBL7052)
Show SMILES O=c1cc(Nc2ccccc2)nc[nH]1
Show InChI InChI=1S/C10H9N3O/c14-10-6-9(11-7-12-10)13-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a>4.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase (Protein kinase A)

Bioorg Med Chem Lett 5: 1007-1010 (1995)


Article DOI: 10.1016/0960-894X(95)00157-O
BindingDB Entry DOI: 10.7270/Q2DJ5FKR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%