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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50041229   
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
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407474
PNG
(CHEMBL3137917)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](OC(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C(N)=O)C2=O
Show InChI InChI=1S/C22H31NO5/c1-11(24)27-16-5-4-14-12-6-9-22-18(28-22)17(25)13(19(23)26)10-21(22,3)15(12)7-8-20(14,16)2/h12-16,18H,4-10H2,1-3H3,(H2,23,26)/t12-,13?,14-,15-,16-,18+,20-,21+,22+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407473
PNG
(CHEMBL3137919)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](OC(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C2=O)S(C)(=O)=O
Show InChI InChI=1S/C22H32O6S/c1-12(23)27-17-6-5-14-13-7-10-22-19(28-22)18(24)16(29(4,25)26)11-21(22,3)15(13)8-9-20(14,17)2/h13-17,19H,5-11H2,1-4H3/t13-,14-,15-,16?,17-,19+,20-,21+,22+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407488
PNG
(CHEMBL3137916)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](OC(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C(=O)OC)C2=O
Show InChI InChI=1S/C23H32O6/c1-12(24)28-17-6-5-15-13-7-10-23-19(29-23)18(25)14(20(26)27-4)11-22(23,3)16(13)8-9-21(15,17)2/h13-17,19H,5-11H2,1-4H3/t13-,14?,15-,16-,17-,19+,21-,22+,23+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407477
PNG
(CHEMBL109492)
Show SMILES C[C@@]12CCCC[C@]11O[C@@H]1C(=O)C(C2)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H21NO3/c1-17-9-5-6-10-18(17)15(22-18)14(20)13(11-17)16(21)19-12-7-3-2-4-8-12/h2-4,7-8,13,15H,5-6,9-11H2,1H3,(H,19,21)/t13?,15-,17+,18-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407490
PNG
(CHEMBL3137910)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C(=O)OC)C2=O
Show InChI InChI=1S/C21H30O5/c1-19-8-7-14-11(13(19)4-5-15(19)22)6-9-21-17(26-21)16(23)12(18(24)25-3)10-20(14,21)2/h11-15,17,22H,4-10H2,1-3H3/t11-,12?,13-,14-,15-,17+,19-,20+,21+/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50032828
PNG
(7-Chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-benzo[e][1...)
Show SMILES Clc1ccc2NC(=O)CN=C(c3ccc[nH]3)c2c1 |t:9|
Show InChI InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407479
PNG
(CHEMBL323490)
Show SMILES CC1(C)CC(C(=O)Nc2ccccc2)C(=O)C2OC12
Show InChI InChI=1S/C15H17NO3/c1-15(2)8-10(11(17)12-13(15)19-12)14(18)16-9-6-4-3-5-7-9/h3-7,10,12-13H,8H2,1-2H3,(H,16,18)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407471
PNG
(CHEMBL320506)
Show SMILES C[C@@]12CCCC[C@@]1(O)[C@@H](Cl)C(=O)C(C2)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H22ClNO3/c1-17-9-5-6-10-18(17,23)15(19)14(21)13(11-17)16(22)20-12-7-3-2-4-8-12/h2-4,7-8,13,15,23H,5-6,9-11H2,1H3,(H,20,22)/t13?,15-,17-,18+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407487
PNG
(CHEMBL2373330)
Show SMILES [H][C@]12O[C@]11CCC3C4CC[C@H](O)[C@@]4(C)CCC3[C@@]1(C)CC(C2=O)S(C)(=O)=O
Show InChI InChI=1S/C20H30O5S/c1-18-8-7-13-11(12(18)4-5-15(18)21)6-9-20-17(25-20)16(22)14(26(3,23)24)10-19(13,20)2/h11-15,17,21H,4-10H2,1-3H3/t11?,12?,13?,14?,15-,17?,18-,19+,20+/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407480
PNG
(CHEMBL3137920)
Show SMILES [H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2(O)[C@@H](Cl)C(=O)C(C[C@]12C)C(N)=O
Show InChI InChI=1S/C22H32ClNO5/c1-11(25)29-16-5-4-14-12-6-9-22(28)18(23)17(26)13(19(24)27)10-21(22,3)15(12)7-8-20(14,16)2/h12-16,18,28H,4-10H2,1-3H3,(H2,24,27)/t12-,13?,14-,15-,16-,18-,20-,21+,22+/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407483
PNG
(CHEMBL108427)
Show SMILES C[C@@]12CCCC[C@]11O[C@@H]1C(=O)C(C2)C(N)=O
Show InChI InChI=1S/C12H17NO3/c1-11-4-2-3-5-12(11)9(16-12)8(14)7(6-11)10(13)15/h7,9H,2-6H2,1H3,(H2,13,15)/t7?,9-,11+,12-/m1/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407472
PNG
(CHEMBL3137913)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C2=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H32O5S/c1-23-12-11-18-16(17(23)8-9-20(23)26)10-13-25-22(30-25)21(27)19(14-24(18,25)2)31(28,29)15-6-4-3-5-7-15/h3-7,16-20,22,26H,8-14H2,1-2H3/t16-,17-,18-,19?,20-,22+,23-,24+,25+/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407475
PNG
(CHEMBL3137911)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C(N)=O)C2=O
Show InChI InChI=1S/C20H29NO4/c1-18-7-6-13-10(12(18)3-4-14(18)22)5-8-20-16(25-20)15(23)11(17(21)24)9-19(13,20)2/h10-14,16,22H,3-9H2,1-2H3,(H2,21,24)/t10-,11?,12-,13-,14-,16+,18-,19+,20+/m0/s1
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n/an/a 1.43E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407485
PNG
(CHEMBL3137914)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC2=O
Show InChI InChI=1S/C19H28O3/c1-17-8-6-13-11(12(17)3-4-15(17)21)5-10-19-16(22-19)14(20)7-9-18(13,19)2/h11-13,15-16,21H,3-10H2,1-2H3/t11-,12-,13-,15-,16+,17-,18+,19+/m0/s1
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n/an/a 1.54E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407482
PNG
(CHEMBL107878)
Show SMILES C[C@@]12CCCC[C@@]1(O)[C@@H](Cl)C(=O)C(C2)C(N)=O
Show InChI InChI=1S/C12H18ClNO3/c1-11-4-2-3-5-12(11,17)9(13)8(15)7(6-11)10(14)16/h7,9,17H,2-6H2,1H3,(H2,14,16)/t7?,9-,11-,12+/m0/s1
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n/an/a 1.65E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407486
PNG
(CHEMBL108485)
Show SMILES COc1ccc(NC(=O)C2CC(C)(C)C3OC3C2=O)cc1
Show InChI InChI=1S/C16H19NO4/c1-16(2)8-11(12(18)13-14(16)21-13)15(19)17-9-4-6-10(20-3)7-5-9/h4-7,11,13-14H,8H2,1-3H3,(H,17,19)
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n/an/a 2.14E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407478
PNG
(CHEMBL3138234)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](OC(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)C2=O
Show InChI InChI=1S/C22H29NO4/c1-12(24)26-17-5-4-15-14-6-9-22-19(27-22)18(25)13(11-23)10-21(22,3)16(14)7-8-20(15,17)2/h13-17,19H,4-10H2,1-3H3/t13?,14-,15-,16-,17-,19+,20-,21+,22+/m0/s1
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n/an/a 2.45E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407481
PNG
(CHEMBL111446)
Show SMILES COc1ccc(NC(=O)C2C[C@]3(C)CCCC[C@]33O[C@@H]3C2=O)cc1
Show InChI InChI=1S/C19H23NO4/c1-18-9-3-4-10-19(18)16(24-19)15(21)14(11-18)17(22)20-12-5-7-13(23-2)8-6-12/h5-8,14,16H,3-4,9-11H2,1-2H3,(H,20,22)/t14?,16-,18+,19-/m1/s1
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n/an/a 2.57E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407489
PNG
(CHEMBL111424)
Show SMILES CC1(C)CC(C(=O)Nc2c(Cl)cccc2Cl)C(=O)C2OC12
Show InChI InChI=1S/C15H15Cl2NO3/c1-15(2)6-7(11(19)12-13(15)21-12)14(20)18-10-8(16)4-3-5-9(10)17/h3-5,7,12-13H,6H2,1-2H3,(H,18,20)
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n/an/a 3.17E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407469
PNG
(CHEMBL323217)
Show SMILES C[C@]12CCCC[C@]1(O)[C@H](Cl)C(=O)C(C2)C(N)=O
Show InChI InChI=1S/C12H18ClNO3/c1-11-4-2-3-5-12(11,17)9(13)8(15)7(6-11)10(14)16/h7,9,17H,2-6H2,1H3,(H2,14,16)/t7?,9-,11-,12+/m1/s1
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n/an/a 3.21E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407476
PNG
(CHEMBL325765)
Show SMILES COc1ccc(NC(=O)C2C[C@]3(C)CCCC[C@@]3(O)[C@@H](Cl)C2=O)cc1
Show InChI InChI=1S/C19H24ClNO4/c1-18-9-3-4-10-19(18,24)16(20)15(22)14(11-18)17(23)21-12-5-7-13(25-2)8-6-12/h5-8,14,16,24H,3-4,9-11H2,1-2H3,(H,21,23)/t14?,16-,18-,19+/m0/s1
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n/an/a 3.35E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407468
PNG
(CHEMBL110573)
Show SMILES C[C@@]12CCCC[C@]11O[C@@H]1C(=O)C(C2)C#N
Show InChI InChI=1S/C12H15NO2/c1-11-4-2-3-5-12(11)10(15-12)9(14)8(6-11)7-13/h8,10H,2-6H2,1H3/t8?,10-,11+,12-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407484
PNG
(CHEMBL320265)
Show SMILES C[C@]12CCCC[C@@]11O[C@H]1C(=O)C(C2)C(N)=O
Show InChI InChI=1S/C12H17NO3/c1-11-4-2-3-5-12(11)9(16-12)8(14)7(6-11)10(13)15/h7,9H,2-6H2,1H3,(H2,13,15)/t7?,9-,11+,12-/m0/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407470
PNG
(CHEMBL326009)
Show SMILES C[C@]12CCCC[C@@]11O[C@H]1C(=O)C(C2)C#N
Show InChI InChI=1S/C12H15NO2/c1-11-4-2-3-5-12(11)10(15-12)9(14)8(6-11)7-13/h8,10H,2-6H2,1H3/t8?,10-,11+,12-/m0/s1
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n/an/a 2.78E+5n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair