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Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'auclair' 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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 100n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065797
PNG
(CHEMBL329488 | Sodium; 8-hydroxy-2-[(E)-2-(3,4,5-t...)
Show SMILES Oc1cc(\C=C\c2ccc3ccc(C([O-])=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/p-1/b4-1+
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n/an/a 260n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174413
PNG
(2-(2-Diethylamino-ethyl)-9-hydroxy-5,11-dimethyl-6...)
Show SMILES CCN(CC)CCn1ccc2c(C)c3[nH+]c4ccc(O)cc4c3c(C)c2c1
Show InChI InChI=1S/C23H27N3O/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23/h7-10,13-14,27H,5-6,11-12H2,1-4H3/p+1
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit D816V type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
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Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
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Université Paris-Sud

Curated by ChEMBL


Assay Description
HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
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CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus-1 (HIV-1) integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
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Université Paris-Sud

Curated by ChEMBL


Assay Description
In vitro anti-HIV integrase activity of the compound was tested against integration(strand transfer) of target plasmid.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50004227
PNG
(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-9-ol | 5,11...)
Show SMILES Cc1c2[nH]c3ccc(O)cc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50004227
PNG
(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-9-ol | 5,11...)
Show SMILES Cc1c2[nH]c3ccc(O)cc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory activity against Fibroblast growth factor receptor 3


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50004235
PNG
((NMHE)9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]c...)
Show SMILES Cc1c2[nH+]c3ccc(O)cc3c2c(C)c2cn(C)ccc12
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50004235
PNG
((NMHE)9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]c...)
Show SMILES Cc1c2[nH+]c3ccc(O)cc3c2c(C)c2cn(C)ccc12
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit D816V type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50004227
PNG
(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-9-ol | 5,11...)
Show SMILES Cc1c2[nH]c3ccc(O)cc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit D816V type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
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n/an/a 400n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174413
PNG
(2-(2-Diethylamino-ethyl)-9-hydroxy-5,11-dimethyl-6...)
Show SMILES CCN(CC)CCn1ccc2c(C)c3[nH+]c4ccc(O)cc4c3c(C)c2c1
Show InChI InChI=1S/C23H27N3O/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23/h7-10,13-14,27H,5-6,11-12H2,1-4H3/p+1
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50004235
PNG
((NMHE)9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]c...)
Show SMILES Cc1c2[nH+]c3ccc(O)cc3c2c(C)c2cn(C)ccc12
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory activity against Fibroblast growth factor receptor 3


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065788
PNG
((E)-2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoli...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)nc2c1O
Show InChI InChI=1S/C19H13NO6/c21-15-8-2-10(9-14(15)19(25)26)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)20-12/h1-9,21-22H,(H,23,24)(H,25,26)/b5-1+
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Université Paris-Sud

Curated by ChEMBL


Assay Description
In vitro anti-HIV integrase activity of the compound was tested against integration(strand transfer) of target plasmid.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit D816V type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50004227
PNG
(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-9-ol | 5,11...)
Show SMILES Cc1c2[nH]c3ccc(O)cc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory activity against Platelet-derived growth factor receptor alpha


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50004235
PNG
((NMHE)9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]c...)
Show SMILES Cc1c2[nH+]c3ccc(O)cc3c2c(C)c2cn(C)ccc12
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1
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CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory activity against Platelet-derived growth factor receptor alpha


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
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Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065795
PNG
(CHEMBL100082 | Sodium; 2-[(E)-2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C([O-])=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/p-1/b5-1+
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n/an/a 800n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 800n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087427
PNG
((E)-8-hydroxy-2-(3-hydroxy-4-methoxystyryl)quinoli...)
Show SMILES COc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C19H15NO5/c1-25-16-9-3-11(10-15(16)21)2-6-13-7-4-12-5-8-14(19(23)24)18(22)17(12)20-13/h2-10,21-22H,1H3,(H,23,24)/b6-2+
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n/an/a 900n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
In vitro anti-HIV integrase activity of the compound was tested against integration(strand transfer) of target plasmid.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087431
PNG
(2-[2-(4-Acetylamino-phenyl)-vinyl]-8-hydroxy-quino...)
Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1
Show InChI InChI=1S/C20H16N2O4/c1-12(23)21-15-7-2-13(3-8-15)4-9-16-10-5-14-6-11-17(20(25)26)19(24)18(14)22-16/h2-11,24H,1H3,(H,21,23)(H,25,26)/b9-4+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087429
PNG
((E)-2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquino...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(Br)c(O)c(Br)c3)nc2c1O
Show InChI InChI=1S/C18H11Br2NO4/c19-13-7-9(8-14(20)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)21-11/h1-8,22-23H,(H,24,25)/b4-1+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174410
PNG
(1-(3-Diethylamino-propylamino)-5,11-dimethyl-6H-py...)
Show SMILES CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c12
Show InChI InChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-24-22-16(4)21-19-14-17(29)8-9-20(19)27-23(21)15(3)18(22)10-12-26-24/h8-10,12,14,27,29H,5-7,11,13H2,1-4H3,(H,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit D816V type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087432
PNG
(8-Hydroxy-2-[2-(4-nitro-phenyl)-vinyl]-quinoline-7...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(cc3)[N+]([O-])=O)nc2c1O
Show InChI InChI=1S/C18H12N2O5/c21-17-15(18(22)23)10-5-12-4-7-13(19-16(12)17)6-1-11-2-8-14(9-3-11)20(24)25/h1-10,21H,(H,22,23)/b6-1+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087429
PNG
((E)-2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquino...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(Br)c(O)c(Br)c3)nc2c1O
Show InChI InChI=1S/C18H11Br2NO4/c19-13-7-9(8-14(20)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)21-11/h1-8,22-23H,(H,24,25)/b4-1+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087431
PNG
(2-[2-(4-Acetylamino-phenyl)-vinyl]-8-hydroxy-quino...)
Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1
Show InChI InChI=1S/C20H16N2O4/c1-12(23)21-15-7-2-13(3-8-15)4-9-16-10-5-14-6-11-17(20(25)26)19(24)18(14)22-16/h2-11,24H,1H3,(H,21,23)(H,25,26)/b9-4+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174410
PNG
(1-(3-Diethylamino-propylamino)-5,11-dimethyl-6H-py...)
Show SMILES CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c12
Show InChI InChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-24-22-16(4)21-19-14-17(29)8-9-20(19)27-23(21)15(3)18(22)10-12-26-24/h8-10,12,14,27,29H,5-7,11,13H2,1-4H3,(H,25,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50174408
PNG
(1-(3-Diethylamino-propylamino)-5,6,11-trimethyl-6H...)
Show SMILES CCN(CC)CCCNc1nccc2c(C)c3n(C)c4ccc(O)cc4c3c(C)c12
Show InChI InChI=1S/C25H32N4O/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30)9-10-21(20)28(5)24(22)16(3)19(23)11-13-27-25/h9-11,13,15,30H,6-8,12,14H2,1-5H3,(H,26,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory activity against Fibroblast growth factor receptor 3


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087426
PNG
(2-(3,4-dihydroxyphenethyl)-8-hydroxyquinoline-7-ca...)
Show SMILES OC(=O)c1ccc2ccc(CCc3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H15NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h2-4,6-9,20-22H,1,5H2,(H,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087435
PNG
((E)-8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3)nc2c1O
Show InChI InChI=1S/C18H13NO4/c20-14-8-2-11(3-9-14)1-6-13-7-4-12-5-10-15(18(22)23)17(21)16(12)19-13/h1-10,20-21H,(H,22,23)/b6-1+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087435
PNG
((E)-8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3)nc2c1O
Show InChI InChI=1S/C18H13NO4/c20-14-8-2-11(3-9-14)1-6-13-7-4-12-5-10-15(18(22)23)17(21)16(12)19-13/h1-10,20-21H,(H,22,23)/b6-1+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087432
PNG
(8-Hydroxy-2-[2-(4-nitro-phenyl)-vinyl]-quinoline-7...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(cc3)[N+]([O-])=O)nc2c1O
Show InChI InChI=1S/C18H12N2O5/c21-17-15(18(22)23)10-5-12-4-7-13(19-16(12)17)6-1-11-2-8-14(9-3-11)20(24)25/h1-10,21H,(H,22,23)/b6-1+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174411
PNG
(CHEMBL197610 | N,N-Diethyl-N'-(10-methyl-11H-pyrid...)
Show SMILES CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ncccc4c3cc12
Show InChI InChI=1S/C22H27N5/c1-4-27(5-2)13-7-11-23-21-19-14-18-17-8-6-10-24-22(17)26-20(18)15(3)16(19)9-12-25-21/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,23,25)(H,24,26)
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n/an/a 1.90E+3n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit D816V type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087430
PNG
((E)-2-(2-(furan-2-yl)vinyl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccco3)nc2c1O
Show InChI InChI=1S/C16H11NO4/c18-15-13(16(19)20)8-4-10-3-5-11(17-14(10)15)6-7-12-2-1-9-21-12/h1-9,18H,(H,19,20)/b7-6+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing was tested in CEM cells


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50174408
PNG
(1-(3-Diethylamino-propylamino)-5,6,11-trimethyl-6H...)
Show SMILES CCN(CC)CCCNc1nccc2c(C)c3n(C)c4ccc(O)cc4c3c(C)c12
Show InChI InChI=1S/C25H32N4O/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30)9-10-21(20)28(5)24(22)16(3)19(23)11-13-27-25/h9-11,13,15,30H,6-8,12,14H2,1-5H3,(H,26,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory activity against Platelet-derived growth factor receptor alpha


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174407
PNG
(CHEMBL279472 | N,N-Diethyl-N'-(9-methoxy-5-methyl-...)
Show SMILES CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12
Show InChI InChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-24-21-15-20-19-14-17(29-4)8-9-22(19)27-23(20)16(3)18(21)10-12-26-24/h8-10,12,14-15,27H,5-7,11,13H2,1-4H3,(H,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit D816V type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087421
PNG
(8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic ac...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Show InChI InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
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n/an/a 2.10E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of rous sarcoma virus (RSV) Integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065783
PNG
(5-(2-{7-[2-(3,4-Dihydroxy-phenyl)-vinyl]-8-hydroxy...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(\C=C\c4ccc(O)c(O)c4)c(O)c3n2)cc1O
Show InChI InChI=1S/C25H19NO5/c27-20-11-3-15(13-22(20)29)1-5-18-7-6-17-8-10-19(26-24(17)25(18)31)9-2-16-4-12-21(28)23(30)14-16/h1-14,27-31H/b5-1+,9-2+
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Article
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n/an/a 2.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087420
PNG
((E)-2-(4-aminostyryl)-8-hydroxyquinoline-7-carboxy...)
Show SMILES Nc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1
Show InChI InChI=1S/C18H14N2O3/c19-13-6-1-11(2-7-13)3-8-14-9-4-12-5-10-15(18(22)23)17(21)16(12)20-14/h1-10,21H,19H2,(H,22,23)/b8-3+
PDB
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n/an/a 2.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174411
PNG
(CHEMBL197610 | N,N-Diethyl-N'-(10-methyl-11H-pyrid...)
Show SMILES CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ncccc4c3cc12
Show InChI InChI=1S/C22H27N5/c1-4-27(5-2)13-7-11-23-21-19-14-18-17-8-6-10-24-22(17)26-20(18)15(3)16(19)9-12-25-21/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,23,25)(H,24,26)
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antibodypedia
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n/an/a 2.30E+3n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087426
PNG
(2-(3,4-dihydroxyphenethyl)-8-hydroxyquinoline-7-ca...)
Show SMILES OC(=O)c1ccc2ccc(CCc3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H15NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h2-4,6-9,20-22H,1,5H2,(H,23,24)
PDB
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n/an/a 2.30E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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UniProtKB/SwissProt

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n/an/a 2.30E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of rous sarcoma virus (RSV) Integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
PDB
MMDB

UniProtKB/TrEMBL

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Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
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