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Compile Data Set for Download or QSAR

Found 7 hits from Ball State University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137103
PNG
(1-(7-Acetylamino-5,8-dioxo-5,8-dihydro-quinolin-2-...)
Show SMILES CC(=O)NC1=CC(=O)c2ccc(nc2C1=O)-c1[nH]c(cc2c3ccccc3nc12)C(=O)OCCOP(O)(O)=O
Show InChI InChI=1S/C25H19N4O9P/c1-12(30)26-18-11-20(31)14-6-7-17(28-22(14)24(18)32)23-21-15(13-4-2-3-5-16(13)27-21)10-19(29-23)25(33)37-8-9-38-39(34,35)36/h2-7,10-11,29H,8-9H2,1H3,(H,26,30)(H2,34,35,36)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ball State University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-reverse transcriptase (HIV-RT)


J Med Chem 46: 5773-80 (2003)


Article DOI: 10.1021/jm0304414
BindingDB Entry DOI: 10.7270/Q2QC02WD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137100
PNG
(1-(7-Butyrylamino-5,8-dioxo-5,8-dihydro-quinolin-2...)
Show SMILES CCCCOC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc2C(=O)C=C(NC(=O)CCC)C(=O)c2n1
Show InChI InChI=1S/C29H26N4O5/c1-3-5-13-38-29(37)22-14-18-16-9-6-7-10-19(16)31-25(18)27(33-22)20-12-11-17-23(34)15-21(28(36)26(17)32-20)30-24(35)8-4-2/h6-7,9-12,14-15,31H,3-5,8,13H2,1-2H3,(H,30,35)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Ball State University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-reverse transcriptase (HIV-RT)


J Med Chem 46: 5773-80 (2003)


Article DOI: 10.1021/jm0304414
BindingDB Entry DOI: 10.7270/Q2QC02WD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137099
PNG
(1-(7-Formylamino-5,8-dioxo-5,8-dihydro-quinolin-2-...)
Show SMILES CCCCCCCCOC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc2C(=O)C=C(NC=O)C(=O)c2n1
Show InChI InChI=1S/C30H28N4O5/c1-2-3-4-5-6-9-14-39-30(38)24-15-20-18-10-7-8-11-21(18)32-26(20)28(34-24)22-13-12-19-25(36)16-23(31-17-35)29(37)27(19)33-22/h7-8,10-13,15-17,32H,2-6,9,14H2,1H3,(H,31,35)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Ball State University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-reverse transcriptase (HIV-RT)


J Med Chem 46: 5773-80 (2003)


Article DOI: 10.1021/jm0304414
BindingDB Entry DOI: 10.7270/Q2QC02WD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137097
PNG
(1-(7-Acetylamino-5,8-dioxo-5,8-dihydro-quinolin-2-...)
Show SMILES CC(=O)NC1=CC(=O)c2ccc(nc2C1=O)-c1[nH]c(cc2c1nc1ccccc21)C(N)=O
Show InChI InChI=1S/C23H15N5O4/c1-10(29)25-16-9-18(30)12-6-7-15(27-20(12)22(16)31)21-19-13(8-17(28-21)23(24)32)11-4-2-3-5-14(11)26-19/h2-9,28H,1H3,(H2,24,32)(H,25,29)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Ball State University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-reverse transcriptase (HIV-RT)


J Med Chem 46: 5773-80 (2003)


Article DOI: 10.1021/jm0304414
BindingDB Entry DOI: 10.7270/Q2QC02WD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137102
PNG
(1-(7-Acetylamino-5,8-dioxo-5,8-dihydro-quinolin-2-...)
Show SMILES CC(=O)NC1=CC(=O)c2ccc(nc2C1=O)-c1[nH]c(cc2c1nc1ccccc21)C(O)=O
Show InChI InChI=1S/C23H14N4O5/c1-10(28)24-16-9-18(29)12-6-7-15(26-20(12)22(16)30)21-19-13(8-17(27-21)23(31)32)11-4-2-3-5-14(11)25-19/h2-9,27H,1H3,(H,24,28)(H,31,32)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Ball State University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-reverse transcriptase (HIV-RT)


J Med Chem 46: 5773-80 (2003)


Article DOI: 10.1021/jm0304414
BindingDB Entry DOI: 10.7270/Q2QC02WD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137098
PNG
(1-(7-Acetylamino-5,8-dioxo-5,8-dihydro-quinolin-2-...)
Show SMILES COC(=O)c1[nH]c(-c2ccc3C(=O)C=C(NC(C)=O)C(=O)c3n2)c2nc3ccccc3c2c1C
Show InChI InChI=1S/C25H18N4O5/c1-11-19-13-6-4-5-7-15(13)27-23(19)22(29-20(11)25(33)34-3)16-9-8-14-18(31)10-17(26-12(2)30)24(32)21(14)28-16/h4-10,29H,1-3H3,(H,26,30)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Ball State University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-reverse transcriptase (HIV-RT)


J Med Chem 46: 5773-80 (2003)


Article DOI: 10.1021/jm0304414
BindingDB Entry DOI: 10.7270/Q2QC02WD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137101
PNG
(1-(7-Formylamino-5,8-dioxo-5,8-dihydro-quinolin-2-...)
Show SMILES NC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc2C(=O)C=C(NC=O)C(=O)c2n1
Show InChI InChI=1S/C22H13N5O4/c23-22(31)16-7-12-10-3-1-2-4-13(10)25-18(12)20(27-16)14-6-5-11-17(29)8-15(24-9-28)21(30)19(11)26-14/h1-9,25H,(H2,23,31)(H,24,28)
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n/an/a 2.05E+4n/an/an/an/an/an/a



Ball State University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-reverse transcriptase (HIV-RT)


J Med Chem 46: 5773-80 (2003)


Article DOI: 10.1021/jm0304414
BindingDB Entry DOI: 10.7270/Q2QC02WD
More data for this
Ligand-Target Pair