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Compile Data Set for Download or QSAR

Found 19 hits of ec50 data for polymerid = 50000668   
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
T-cell surface antigen CD4


(Homo sapiens)
BDBM50036146
PNG
(5-{1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[1-(1,...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(O)=O)c5cc(Cl)c(O)c(c5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C45H60Cl2O6/c1-25(2)8-6-9-26(3)35-14-15-36-32-13-12-30-20-27(16-18-44(30,4)37(32)17-19-45(35,36)5)10-7-11-31(28-21-33(42(50)51)40(48)38(46)23-28)29-22-34(43(52)53)41(49)39(47)24-29/h11,21-27,30,32,35-37,48-49H,6-10,12-20H2,1-5H3,(H,50,51)(H,52,53)/t26?,27-,30?,32?,35+,36?,37?,44-,45+/m0/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50097415
PNG
(CHEMBL216469 | Cosalane analogue)
Show SMILES COc1c(Cl)cc(Cc2cc(cc(C(O)=O)c2OC)C(=CCC[C@H]2CC[C@@]3(C)C(CCC4C5CC[C@H](C(C)CCCC(C)C)[C@@]5(C)CCC34)C2)c2cc(Cc3cc(Cl)c(OC)c(c3)C(O)=O)c(OC)c(c2)C(O)=O)cc1C(O)=O
Show InChI InChI=1S/C65H80Cl2O12/c1-35(2)12-10-13-36(3)51-18-19-52-46-17-16-44-26-37(20-22-64(44,4)53(46)21-23-65(51,52)5)14-11-15-45(40-31-42(56(76-6)49(33-40)62(72)73)24-38-27-47(60(68)69)58(78-8)54(66)29-38)41-32-43(57(77-7)50(34-41)63(74)75)25-39-28-48(61(70)71)59(79-9)55(67)30-39/h15,27-37,44,46,51-53H,10-14,16-26H2,1-9H3,(H,68,69)(H,70,71)(H,72,73)(H,74,75)/t36?,37-,44?,46?,51+,52?,53?,64-,65+/m0/s1
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n/an/an/an/a 1.99E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50069212
PNG
(2-(4-carboxybenzyloxy)-5-{1-[3-carboxy-4-(4-carbox...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(cc6)C(O)=O)c(c5)C(O)=O)c5cc(Cl)c(OCc6ccc(cc6)C(O)=O)c(c5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C61H72Cl2O10/c1-35(2)8-6-9-36(3)49-22-23-50-46-21-20-44-28-37(24-26-60(44,4)51(46)25-27-61(49,50)5)10-7-11-45(42-29-47(58(68)69)54(52(62)31-42)72-33-38-12-16-40(17-13-38)56(64)65)43-30-48(59(70)71)55(53(63)32-43)73-34-39-14-18-41(19-15-39)57(66)67/h11-19,29-32,35-37,44,46,49-51H,6-10,20-28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t36?,37-,44?,46?,49+,50?,51?,60-,61+/m0/s1
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n/an/an/an/a 2.20E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50077220
PNG
(2-(3-carboxybenzyloxy)-5-{1-[3-carboxy-4-(3-carbox...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(c6)C(O)=O)c(c5)C(O)=O)c5cc(Cl)c(OCc6cccc(c6)C(O)=O)c(c5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C61H72Cl2O10/c1-35(2)10-6-11-36(3)49-20-21-50-46-19-18-44-28-37(22-24-60(44,4)51(46)23-25-61(49,50)5)12-9-17-45(42-29-47(58(68)69)54(52(62)31-42)72-33-38-13-7-15-40(26-38)56(64)65)43-30-48(59(70)71)55(53(63)32-43)73-34-39-14-8-16-41(27-39)57(66)67/h7-8,13-17,26-27,29-32,35-37,44,46,49-51H,6,9-12,18-25,28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t36?,37-,44?,46?,49+,50?,51?,60-,61+/m0/s1
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n/an/an/an/a>2.90E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50077218
PNG
(2-(2-carboxybenzyloxy)-5-{1-[3-carboxy-4-(2-carbox...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccccc6C(O)=O)c(c5)C(O)=O)c5cc(Cl)c(OCc6ccccc6C(O)=O)c(c5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C61H72Cl2O10/c1-35(2)12-10-13-36(3)49-22-23-50-46-21-20-42-28-37(24-26-60(42,4)51(46)25-27-61(49,50)5)14-11-19-43(40-29-47(58(68)69)54(52(62)31-40)72-33-38-15-6-8-17-44(38)56(64)65)41-30-48(59(70)71)55(53(63)32-41)73-34-39-16-7-9-18-45(39)57(66)67/h6-9,15-19,29-32,35-37,42,46,49-51H,10-14,20-28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t36?,37-,42?,46?,49+,50?,51?,60-,61+/m0/s1
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n/an/an/an/a>3.70E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50093814
PNG
((S)-2-(5-{1-[3-((S)-1-Carboxy-2-phenyl-ethylcarbam...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](Cc5ccccc5)C(O)=O)c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](Cc5ccccc5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C63H78Cl2N2O8/c1-37(2)14-12-15-38(3)49-24-25-50-46-23-22-44-30-41(26-28-62(44,4)51(46)27-29-63(49,50)5)20-13-21-45(42-33-47(56(68)52(64)35-42)58(70)66-54(60(72)73)31-39-16-8-6-9-17-39)43-34-48(57(69)53(65)36-43)59(71)67-55(61(74)75)32-40-18-10-7-11-19-40/h6-11,16-19,21,33-38,41,44,46,49-51,54-55,68-69H,12-15,20,22-32H2,1-5H3,(H,66,70)(H,67,71)(H,72,73)(H,74,75)/t38?,41-,44?,46?,49+,50?,51?,54-,55-,62-,63+/m0/s1
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n/an/an/an/a>6.20E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50097416
PNG
(CHEMBL383913 | Cosalane analogue)
Show SMILES COc1ccc(cc1C(O)=O)C(=O)Nc1cc(cc(C(O)=O)c1OC)C(=CCC[C@H]1CC[C@@]2(C)C(CCC3C4CC[C@H](C(C)CCCC(C)C)[C@@]4(C)CCC23)C1)c1cc(NC(=O)c2ccc(OC)c(c2)C(O)=O)c(OC)c(c1)C(O)=O
Show InChI InChI=1S/C65H80N2O14/c1-35(2)12-10-13-36(3)49-20-21-50-44-19-18-42-28-37(24-26-64(42,4)51(44)25-27-65(49,50)5)14-11-15-43(40-31-47(62(74)75)56(80-8)52(33-40)66-58(68)38-16-22-54(78-6)45(29-38)60(70)71)41-32-48(63(76)77)57(81-9)53(34-41)67-59(69)39-17-23-55(79-7)46(30-39)61(72)73/h15-17,22-23,29-37,42,44,49-51H,10-14,18-21,24-28H2,1-9H3,(H,66,68)(H,67,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)/t36?,37-,42?,44?,49+,50?,51?,64-,65+/m0/s1
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n/an/an/an/a>6.60E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50093807
PNG
((S)-2-(3-Chloro-5-{1-[3-chloro-5-((S)-1,3-dicarbox...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C55H74Cl2N2O12/c1-29(2)8-6-9-30(3)39-14-15-40-36-13-12-34-24-31(20-22-54(34,4)41(36)21-23-55(39,40)5)10-7-11-35(32-25-37(48(64)42(56)27-32)50(66)58-44(52(68)69)16-18-46(60)61)33-26-38(49(65)43(57)28-33)51(67)59-45(53(70)71)17-19-47(62)63/h11,25-31,34,36,39-41,44-45,64-65H,6-10,12-24H2,1-5H3,(H,58,66)(H,59,67)(H,60,61)(H,62,63)(H,68,69)(H,70,71)/t30?,31-,34?,36?,39+,40?,41?,44-,45-,54-,55+/m0/s1
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n/an/an/an/a 6.96E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50097417
PNG
(3'',3'''-Dichloro-5'',5'''-dicarboxy-4'',4'''-di[p...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCCC(c5cc(Cl)c(OCc6ccc(cc6)C(O)=O)c(c5)C(O)=O)c5cc(Cl)c(OCc6ccc(cc6)C(O)=O)c(c5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C61H74Cl2O10/c1-35(2)8-6-9-36(3)49-22-23-50-46-21-20-44-28-37(24-26-60(44,4)51(46)25-27-61(49,50)5)10-7-11-45(42-29-47(58(68)69)54(52(62)31-42)72-33-38-12-16-40(17-13-38)56(64)65)43-30-48(59(70)71)55(53(63)32-43)73-34-39-14-18-41(19-15-39)57(66)67/h12-19,29-32,35-37,44-46,49-51H,6-11,20-28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t36?,37-,44?,46?,49+,50?,51?,60-,61+/m0/s1
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n/an/an/an/a 7.04E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50093809
PNG
((S)-2-(3-Chloro-5-{1-[3-chloro-5-((S)-1,3-dicarbox...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCCC(c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C55H76Cl2N2O12/c1-29(2)8-6-9-30(3)39-14-15-40-36-13-12-34-24-31(20-22-54(34,4)41(36)21-23-55(39,40)5)10-7-11-35(32-25-37(48(64)42(56)27-32)50(66)58-44(52(68)69)16-18-46(60)61)33-26-38(49(65)43(57)28-33)51(67)59-45(53(70)71)17-19-47(62)63/h25-31,34-36,39-41,44-45,64-65H,6-24H2,1-5H3,(H,58,66)(H,59,67)(H,60,61)(H,62,63)(H,68,69)(H,70,71)/t30?,31-,34?,36?,39+,40?,41?,44-,45-,54-,55+/m0/s1
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n/an/an/an/a 7.30E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50092093
PNG
(2-[4-(2-carboxy-4-{1-[3-carboxy-4-(4-carboxymethyl...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(CC(O)=O)cc6)c(c5)C(O)=O)c5cc(Cl)c(OCc6ccc(CC(O)=O)cc6)c(c5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C63H76Cl2O10/c1-37(2)8-6-9-38(3)51-22-23-52-48-21-20-46-28-39(24-26-62(46,4)53(48)25-27-63(51,52)5)10-7-11-47(44-31-49(60(70)71)58(54(64)33-44)74-35-42-16-12-40(13-17-42)29-56(66)67)45-32-50(61(72)73)59(55(65)34-45)75-36-43-18-14-41(15-19-43)30-57(68)69/h11-19,31-34,37-39,46,48,51-53H,6-10,20-30,35-36H2,1-5H3,(H,66,67)(H,68,69)(H,70,71)(H,72,73)/t38?,39-,46?,48?,51+,52?,53?,62-,63+/m0/s1
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n/an/an/an/a 8.38E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50092091
PNG
(3'',3'''-Dichloro-5'',5'''-dicarboxy-4'',4'''-di[p...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(cc6)-c6cccc(c6)C(O)=O)c(c5)C(O)=O)c5cc(Cl)c(OCc6ccc(cc6)-c6cccc(c6)C(O)=O)c(c5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C73H80Cl2O10/c1-43(2)10-6-11-44(3)61-28-29-62-58-27-26-56-34-45(30-32-72(56,4)63(58)31-33-73(61,62)5)12-7-17-57(54-37-59(70(80)81)66(64(74)39-54)84-41-46-18-22-48(23-19-46)50-13-8-15-52(35-50)68(76)77)55-38-60(71(82)83)67(65(75)40-55)85-42-47-20-24-49(25-21-47)51-14-9-16-53(36-51)69(78)79/h8-9,13-25,35-40,43-45,56,58,61-63H,6-7,10-12,26-34,41-42H2,1-5H3,(H,76,77)(H,78,79)(H,80,81)(H,82,83)/t44?,45-,56?,58?,61+,62?,63?,72-,73+/m0/s1
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n/an/an/an/a>9.50E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50092094
PNG
(3'',3'''-Dichloro-5'',5'''-dicarboxy-4'',4'''-di[p...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(cc6)-c6ccc(cc6)C(O)=O)c(c5)C(O)=O)c5cc(Cl)c(OCc6ccc(cc6)-c6ccc(cc6)C(O)=O)c(c5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C73H80Cl2O10/c1-43(2)8-6-9-44(3)61-30-31-62-58-29-28-56-36-45(32-34-72(56,4)63(58)33-35-73(61,62)5)10-7-11-57(54-37-59(70(80)81)66(64(74)39-54)84-41-46-12-16-48(17-13-46)50-20-24-52(25-21-50)68(76)77)55-38-60(71(82)83)67(65(75)40-55)85-42-47-14-18-49(19-15-47)51-22-26-53(27-23-51)69(78)79/h11-27,37-40,43-45,56,58,61-63H,6-10,28-36,41-42H2,1-5H3,(H,76,77)(H,78,79)(H,80,81)(H,82,83)/t44?,45-,56?,58?,61+,62?,63?,72-,73+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50093812
PNG
(3-(5-{1-[3-(2-Carboxy-ethylcarbamoyl)-5-chloro-4-h...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)NCCC(O)=O)c5cc(Cl)c(O)c(c5)C(=O)NCCC(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C51H70Cl2N2O8/c1-29(2)8-6-9-30(3)39-14-15-40-36-13-12-34-24-31(16-20-50(34,4)41(36)17-21-51(39,40)5)10-7-11-35(32-25-37(46(60)42(52)27-32)48(62)54-22-18-44(56)57)33-26-38(47(61)43(53)28-33)49(63)55-23-19-45(58)59/h11,25-31,34,36,39-41,60-61H,6-10,12-24H2,1-5H3,(H,54,62)(H,55,63)(H,56,57)(H,58,59)/t30?,31-,34?,36?,39+,40?,41?,50-,51+/m0/s1
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n/an/an/an/a 1.20E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50093810
PNG
((S)-2-(3-Chloro-5-{1-[3-chloro-5-((S)-1,2-dicarbox...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CC(O)=O)C(O)=O)c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CC(O)=O)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C53H70Cl2N2O12/c1-27(2)8-6-9-28(3)37-14-15-38-34-13-12-32-20-29(16-18-52(32,4)39(34)17-19-53(37,38)5)10-7-11-33(30-21-35(46(62)40(54)23-30)48(64)56-42(50(66)67)25-44(58)59)31-22-36(47(63)41(55)24-31)49(65)57-43(51(68)69)26-45(60)61/h11,21-24,27-29,32,34,37-39,42-43,62-63H,6-10,12-20,25-26H2,1-5H3,(H,56,64)(H,57,65)(H,58,59)(H,60,61)(H,66,67)(H,68,69)/t28?,29-,32?,34?,37+,38?,39?,42-,43-,52-,53+/m0/s1
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n/an/an/an/a 1.22E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50093813
PNG
((5-{1-[3-(Carboxymethyl-carbamoyl)-5-chloro-4-hydr...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCCC(c5cc(Cl)c(O)c(c5)C(=O)NCC(O)=O)c5cc(Cl)c(O)c(c5)C(=O)NCC(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C49H68Cl2N2O8/c1-27(2)8-6-9-28(3)37-14-15-38-34-13-12-32-20-29(16-18-48(32,4)39(34)17-19-49(37,38)5)10-7-11-33(30-21-35(44(58)40(50)23-30)46(60)52-25-42(54)55)31-22-36(45(59)41(51)24-31)47(61)53-26-43(56)57/h21-24,27-29,32-34,37-39,58-59H,6-20,25-26H2,1-5H3,(H,52,60)(H,53,61)(H,54,55)(H,56,57)/t28?,29-,32?,34?,37+,38?,39?,48-,49+/m0/s1
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n/an/an/an/a>1.25E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50093808
PNG
((5-{1-[3-(Carboxymethyl-carbamoyl)-5-chloro-4-hydr...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)NCC(O)=O)c5cc(Cl)c(O)c(c5)C(=O)NCC(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C49H66Cl2N2O8/c1-27(2)8-6-9-28(3)37-14-15-38-34-13-12-32-20-29(16-18-48(32,4)39(34)17-19-49(37,38)5)10-7-11-33(30-21-35(44(58)40(50)23-30)46(60)52-25-42(54)55)31-22-36(45(59)41(51)24-31)47(61)53-26-43(56)57/h11,21-24,27-29,32,34,37-39,58-59H,6-10,12-20,25-26H2,1-5H3,(H,52,60)(H,53,61)(H,54,55)(H,56,57)/t28?,29-,32?,34?,37+,38?,39?,48-,49+/m0/s1
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n/an/an/an/a>1.25E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50093811
PNG
((S)-2-(5-{1-[3-((S)-1-Carboxy-3-methyl-butylcarbam...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CC(C)C)C(O)=O)c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CC(C)C)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C57H82Cl2N2O8/c1-31(2)12-10-13-34(7)43-18-19-44-40-17-16-38-26-35(20-22-56(38,8)45(40)21-23-57(43,44)9)14-11-15-39(36-27-41(50(62)46(58)29-36)52(64)60-48(54(66)67)24-32(3)4)37-28-42(51(63)47(59)30-37)53(65)61-49(55(68)69)25-33(5)6/h15,27-35,38,40,43-45,48-49,62-63H,10-14,16-26H2,1-9H3,(H,60,64)(H,61,65)(H,66,67)(H,68,69)/t34?,35-,38?,40?,43+,44?,45?,48-,49-,56-,57+/m0/s1
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n/an/an/an/a>1.25E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50092092
PNG
(3'',3'''-Dichloro-5'',5'''-dicarboxy-4'',4'''-di[p...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(cc6)-c6ccccc6C(O)=O)c(c5)C(O)=O)c5cc(Cl)c(OCc6ccc(cc6)-c6ccccc6C(O)=O)c(c5)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C73H80Cl2O10/c1-43(2)12-10-13-44(3)61-30-31-62-58-29-28-52-36-45(32-34-72(52,4)63(58)33-35-73(61,62)5)14-11-19-53(50-37-59(70(80)81)66(64(74)39-50)84-41-46-20-24-48(25-21-46)54-15-6-8-17-56(54)68(76)77)51-38-60(71(82)83)67(65(75)40-51)85-42-47-22-26-49(27-23-47)55-16-7-9-18-57(55)69(78)79/h6-9,15-27,37-40,43-45,52,58,61-63H,10-14,28-36,41-42H2,1-5H3,(H,76,77)(H,78,79)(H,80,81)(H,82,83)/t44?,45-,52?,58?,61+,62?,63?,72-,73+/m0/s1
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n/an/an/an/a>1.25E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)

More data for this
Ligand-Target Pair