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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 Tat protein' AND taxid = 11679   
Target
(Institution)
LigandTarget
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
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50097337
PNG
(CHEMBL349996 | Neamine derivative)
Show SMILES NC1CC(N)C(OC2OC(CNC(=O)C(CCCNC(N)=N)NC(=O)c3ccc4ccc5cccc6ccc3c4c56)C(O)C(O)C2N)C(O)C1O
Show InChI InChI=1S/C35H46N8O8/c36-20-13-21(37)31(30(47)27(20)44)51-34-26(38)29(46)28(45)23(50-34)14-42-33(49)22(5-2-12-41-35(39)40)43-32(48)19-11-9-17-7-6-15-3-1-4-16-8-10-18(19)25(17)24(15)16/h1,3-4,6-11,20-23,26-31,34,44-47H,2,5,12-14,36-38H2,(H,42,49)(H,43,48)(H4,39,40,41)
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n/an/a 28n/an/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Tat peptide binding to HIV-1 TAR RNA


Bioorg Med Chem Lett 11: 591-4 (2001)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50097335
PNG
(2-Amino-5-guanidino-pentanoic acid [(4R,5S,6S)-5-a...)
Show SMILES NC(CCCNC(N)=N)C(=O)NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C18H38N8O7/c19-6(2-1-3-25-18(23)24)16(31)26-5-9-12(28)13(29)10(22)17(32-9)33-15-8(21)4-7(20)11(27)14(15)30/h6-15,17,27-30H,1-5,19-22H2,(H,26,31)(H4,23,24,25)
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n/an/a 600n/an/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Tat peptide binding to HIV-1 TAR RNA


Bioorg Med Chem Lett 11: 591-4 (2001)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50097336
PNG
(CHEMBL152397 | Pyrene-1-carboxylic acid [(4R,5S,6S...)
Show SMILES NC1CC(N)C(OC2OC(CNC(=O)c3ccc4ccc5cccc6ccc3c4c56)C(O)C(O)C2N)C(O)C1O
Show InChI InChI=1S/C29H34N4O7/c30-17-10-18(31)27(26(37)23(17)34)40-29-22(32)25(36)24(35)19(39-29)11-33-28(38)16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)21(14)20(12)13/h1-9,17-19,22-27,29,34-37H,10-11,30-32H2,(H,33,38)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Tat peptide binding to HIV-1 TAR RNA


Bioorg Med Chem Lett 11: 591-4 (2001)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50045403
PNG
(Acetic acid 2-carbamoyl-3-hydroxy-10,13-dimethyl-1...)
Show SMILES CC(=O)O[C@H]1CCC2C3CC[C@]45O[C@H]4C(O)=C(C[C@]5(C)C3CC[C@]12C)C(N)=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/h12,14-16,18,25H,4-10H2,1-3H3,(H2,23,26)/t12?,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 Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 nuclear regulatory protein Tat


J Med Chem 36: 2701-2 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407474
PNG
(CHEMBL3137917)
Show SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)C(C[C@]5(C)[C@H]3CC[C@]12C)C(N)=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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50045400
PNG
(Acetic acid 2-methanesulfonyl-10,13-dimethyl-3-oxo...)
Show SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@]45OC4C(=O)C(C[C@]5(C)[C@H]3CC[C@]12C)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 Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 nuclear regulatory protein Tat


J Med Chem 36: 2701-2 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407473
PNG
(CHEMBL3137919)
Show SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)C(C[C@]5(C)[C@H]3CC[C@]12C)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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407488
PNG
(CHEMBL3137916)
Show SMILES COC(=O)C1C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@]22O[C@@H]2C1=O)OC(C)=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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407490
PNG
(CHEMBL3137910)
Show SMILES COC(=O)C1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]22O[C@@H]2C1=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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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
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 Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 nuclear regulatory protein Tat


J Med Chem 36: 2701-2 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50045401
PNG
(17-Hydroxy-2-methanesulfonyl-10,13-dimethyl-tetrad...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@]45OC4C(=O)C(C[C@]35C)S(C)(=O)=O)[C@@H]1CC[C@@H]2O
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 Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 nuclear regulatory protein Tat


J Med Chem 36: 2701-2 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407487
PNG
(CHEMBL2373330)
Show SMILES C[C@]12CCC3C(CC[C@@]45O[C@@H]4C(=O)C(C[C@]35C)S(C)(=O)=O)C1CC[C@@H]2O
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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407480
PNG
(CHEMBL3137920)
Show SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](Cl)C(=O)C(C[C@]4(C)[C@H]3CC[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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407472
PNG
(CHEMBL3137913)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)C(C[C@]35C)S(=O)(=O)c3ccccc3)[C@@H]1CC[C@@H]2O
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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407475
PNG
(CHEMBL3137911)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)C(C[C@]35C)C(N)=O)[C@@H]1CC[C@@H]2O
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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50045402
PNG
(3,17-Dihydroxy-10,13-dimethyl-1,4,6,7,8,9,10,11,12...)
Show SMILES C[C@]12CCC3C(CC[C@]45OC4C(=O)C(C[C@]35C)C(N)=O)C1CC[C@@H]2O
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 Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 nuclear regulatory protein Tat


J Med Chem 36: 2701-2 (1993)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407485
PNG
(CHEMBL3137914)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)CC[C@]35C)[C@@H]1CC[C@@H]2O
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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407478
PNG
(CHEMBL3138234)
Show SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)C(C[C@]5(C)[C@H]3CC[C@]12C)C#N
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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Tat peptide binding to HIV-1 TAR RNA


Bioorg Med Chem Lett 11: 591-4 (2001)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(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


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50097336
PNG
(CHEMBL152397 | Pyrene-1-carboxylic acid [(4R,5S,6S...)
Show SMILES NC1CC(N)C(OC2OC(CNC(=O)c3ccc4ccc5cccc6ccc3c4c56)C(O)C(O)C2N)C(O)C1O
Show InChI InChI=1S/C29H34N4O7/c30-17-10-18(31)27(26(37)23(17)34)40-29-22(32)25(36)24(35)19(39-29)11-33-28(38)16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)21(14)20(12)13/h1-9,17-19,22-27,29,34-37H,10-11,30-32H2,(H,33,38)
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n/an/an/a 290n/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Dissociation constant for TAR RNA


Bioorg Med Chem Lett 11: 591-4 (2001)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50097337
PNG
(CHEMBL349996 | Neamine derivative)
Show SMILES NC1CC(N)C(OC2OC(CNC(=O)C(CCCNC(N)=N)NC(=O)c3ccc4ccc5cccc6ccc3c4c56)C(O)C(O)C2N)C(O)C1O
Show InChI InChI=1S/C35H46N8O8/c36-20-13-21(37)31(30(47)27(20)44)51-34-26(38)29(46)28(45)23(50-34)14-42-33(49)22(5-2-12-41-35(39)40)43-32(48)19-11-9-17-7-6-15-3-1-4-16-8-10-18(19)25(17)24(15)16/h1,3-4,6-11,20-23,26-31,34,44-47H,2,5,12-14,36-38H2,(H,42,49)(H,43,48)(H4,39,40,41)
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n/an/an/a 30n/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Dissociation constant for TAR RNA


Bioorg Med Chem Lett 11: 591-4 (2001)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50097338
PNG
(CHEMBL408877 | Neamine derivative)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C74H141N37O18S/c1-36(77)53(113)97-37(2)54(114)99-40(5)57(117)102-45(20-12-30-92-70(81)82)62(122)104-42(17-7-9-27-75)60(120)103-43(18-8-10-28-76)61(121)106-47(22-14-32-94-72(85)86)64(124)108-49(24-16-34-96-74(89)90)66(126)110-50(25-26-52(78)112)67(127)109-48(23-15-33-95-73(87)88)65(125)107-46(21-13-31-93-71(83)84)63(123)105-44(19-11-29-91-69(79)80)59(119)101-39(4)56(116)98-38(3)55(115)100-41(6)58(118)111-51(35-130)68(128)129/h36-51,130H,7-35,75-77H2,1-6H3,(H2,78,112)(H,97,113)(H,98,116)(H,99,114)(H,100,115)(H,101,119)(H,102,117)(H,103,120)(H,104,122)(H,105,123)(H,106,121)(H,107,125)(H,108,124)(H,109,127)(H,110,126)(H,111,118)(H,128,129)(H4,79,80,91)(H4,81,82,92)(H4,83,84,93)(H4,85,86,94)(H4,87,88,95)(H4,89,90,96)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/an/a 25n/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Dissociation constant for TAR RNA


Bioorg Med Chem Lett 11: 591-4 (2001)

More data for this
Ligand-Target Pair