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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: P04608   
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
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)		BDBM50481913
PNG
(CHEMBL1075826)
Show SMILES C[C@@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C69H92N10O8/c1-47(39-74-58(35-51-8-22-65(83)23-9-51)43-78-60(37-53-12-26-67(85)27-13-53)45-76-56(41-72-31-30-69(71)87)33-49-4-18-63(81)19-5-49)73-42-57(34-50-6-20-64(82)21-7-50)77-46-61(38-54-14-28-68(86)29-15-54)79-44-59(36-52-10-24-66(84)25-11-52)75-40-55(70)32-48-2-16-62(80)17-3-48/h2-29,47,55-61,72-86H,30-46,70H2,1H3,(H2,71,87)/t47-,55-,56-,57-,58-,59-,60-,61-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay

Bioorg Med Chem Lett 19: 6893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.078
BindingDB Entry DOI: 10.7270/Q2251N1N
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)		BDBM50481920
PNG
(CHEMBL1075815)
Show SMILES C[C@@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C51H70N8O6/c1-35(55-32-43(26-38-6-16-48(62)17-7-38)57-30-41(52)24-36-2-12-46(60)13-3-36)29-56-44(27-39-8-18-49(63)19-9-39)33-59-45(28-40-10-20-50(64)21-11-40)34-58-42(31-54-23-22-51(53)65)25-37-4-14-47(61)15-5-37/h2-21,35,41-45,54-64H,22-34,52H2,1H3,(H2,53,65)/t35-,41-,42-,43-,44-,45-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay

Bioorg Med Chem Lett 19: 6893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.078
BindingDB Entry DOI: 10.7270/Q2251N1N
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)		BDBM50481917
PNG
(CHEMBL1075830)
Show SMILES N[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C57H74N8O7/c58-45(27-39-1-13-51(66)14-2-39)33-61-47(29-41-5-17-53(68)18-6-41)35-63-49(31-43-9-21-55(70)22-10-43)37-65-50(32-44-11-23-56(71)24-12-44)38-64-48(30-42-7-19-54(69)20-8-42)36-62-46(34-60-26-25-57(59)72)28-40-3-15-52(67)16-4-40/h1-24,45-50,60-71H,25-38,58H2,(H2,59,72)/t45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay

Bioorg Med Chem Lett 19: 6893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.078
BindingDB Entry DOI: 10.7270/Q2251N1N
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)		BDBM50481915
PNG
(CHEMBL1075824)
Show SMILES NCCCC[C@@H](CN[C@H](CN[C@@H](CCCCN)CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)NC[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C53H81N11O4/c54-24-5-3-7-43(34-62-45(33-58-26-23-53(57)68)28-39-13-19-49(66)20-14-39)60-36-46(29-40-15-21-50(67)22-16-40)63-35-44(8-4-6-25-55)61-37-47(30-41-31-64-52-10-2-1-9-51(41)52)59-32-42(56)27-38-11-17-48(65)18-12-38/h1-2,9-22,31,42-47,58-67H,3-8,23-30,32-37,54-56H2,(H2,57,68)/t42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay

Bioorg Med Chem Lett 19: 6893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.078
BindingDB Entry DOI: 10.7270/Q2251N1N
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)		BDBM50481919
PNG
(CHEMBL1075821)
Show SMILES NCCCC[C@@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C54H77N9O6/c55-25-2-1-3-44(60-35-46(29-40-8-18-51(66)19-9-40)59-32-43(56)27-38-4-14-49(64)15-5-38)34-61-47(30-41-10-20-52(67)21-11-41)37-63-48(31-42-12-22-53(68)23-13-42)36-62-45(33-58-26-24-54(57)69)28-39-6-16-50(65)17-7-39/h4-23,43-48,58-68H,1-3,24-37,55-56H2,(H2,57,69)/t43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay

Bioorg Med Chem Lett 19: 6893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.078
BindingDB Entry DOI: 10.7270/Q2251N1N
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)		BDBM50481914
PNG
(CHEMBL1075825)
Show SMILES C[C@@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C60H81N9O7/c1-41(64-37-50(30-44-6-18-56(72)19-7-44)68-39-52(32-46-10-22-58(74)23-11-46)66-35-48(61)28-42-2-14-54(70)15-3-42)34-65-51(31-45-8-20-57(73)21-9-45)38-69-53(33-47-12-24-59(75)25-13-47)40-67-49(36-63-27-26-60(62)76)29-43-4-16-55(71)17-5-43/h2-25,41,48-53,63-75H,26-40,61H2,1H3,(H2,62,76)/t41-,48-,49-,50-,51-,52-,53-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay

Bioorg Med Chem Lett 19: 6893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.078
BindingDB Entry DOI: 10.7270/Q2251N1N
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)		BDBM50481918
PNG
(CHEMBL1081563)
Show SMILES N[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C30H41N5O4/c31-24(15-21-1-7-27(36)8-2-21)18-34-26(17-23-5-11-29(38)12-6-23)20-35-25(19-33-14-13-30(32)39)16-22-3-9-28(37)10-4-22/h1-12,24-26,33-38H,13-20,31H2,(H2,32,39)/t24-,25-,26-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay

Bioorg Med Chem Lett 19: 6893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.078
BindingDB Entry DOI: 10.7270/Q2251N1N
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)		BDBM50481921
PNG
(CHEMBL1075829)
Show SMILES N[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H63N7O6/c49-38(23-33-1-11-43(56)12-2-33)28-52-40(25-35-5-15-45(58)16-6-35)30-54-42(27-37-9-19-47(60)20-10-37)32-55-41(26-36-7-17-46(59)18-8-36)31-53-39(29-51-22-21-48(50)61)24-34-3-13-44(57)14-4-34/h1-20,38-42,51-60H,21-32,49H2,(H2,50,61)/t38-,39-,40-,41-,42-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay

Bioorg Med Chem Lett 19: 6893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.078
BindingDB Entry DOI: 10.7270/Q2251N1N
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)		BDBM50481916
PNG
(CHEMBL1075823)
Show SMILES NCCCC[C@@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@H](CCCCN)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C51H80N10O5/c52-24-3-1-5-42(33-60-44(32-56-26-23-51(55)66)28-38-9-17-48(63)18-10-38)59-36-46(30-40-13-21-50(65)22-14-40)61-34-43(6-2-4-25-53)58-35-45(29-39-11-19-49(64)20-12-39)57-31-41(54)27-37-7-15-47(62)16-8-37/h7-22,41-46,56-65H,1-6,23-36,52-54H2,(H2,55,66)/t41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay

Bioorg Med Chem Lett 19: 6893-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.078
BindingDB Entry DOI: 10.7270/Q2251N1N
More data for this
Ligand-Target Pair