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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with Target = 'T-cell surface antigen CD4' AND taxid = 9606   
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)
BDBM50123450
PNG
(CHEMBL412226 | Chloropeptin I analogue)
Show SMILES CN1C(Cc2ccc(Oc3cc4cc(c3O)-c3ccc5c(CC(NC(=O)C(O)(CC(C)=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)NC(c6cc(Cl)c(O)c(Cl)c6)C(=O)NC4C(=O)NC(c4cc(Cl)c(O)c(Cl)c4)C1=O)c[nH]c5c3)cc2)C(=O)NC(C(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C64H51Cl6N7O16/c1-26(78)24-64(92,34-22-43(69)56(83)44(70)23-34)63(91)72-46-20-33-25-71-45-19-29(7-12-37(33)45)38-14-30-21-48(53(38)80)93-36-10-3-27(4-11-36)13-47(58(85)76-52(62(89)90)28-5-8-35(79)9-6-28)77(2)61(88)51(32-17-41(67)55(82)42(68)18-32)75-60(87)49(30)74-59(86)50(73-57(46)84)31-15-39(65)54(81)40(66)16-31/h3-12,14-19,21-23,25,46-47,49-52,71,79-83,92H,13,20,24H2,1-2H3,(H,72,91)(H,73,84)(H,74,86)(H,75,87)(H,76,85)(H,89,90)
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n/an/a 130n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM


Bioorg Med Chem Lett 13: 573-5 (2003)

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


(Homo sapiens)
BDBM50366855
PNG
(CHEMBL525803 | Chloropeptin)
Show SMILES CN1[C@@H](Cc2ccc(Oc3cc4cc(c3O)-c3cccc5c(C[C@@H](NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H](c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H]4C(=O)N[C@H](c4cc(Cl)c(O)c(Cl)c4)C1=O)c[nH]c35)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C61H45Cl6N7O15/c1-74-43(56(82)73-48(61(87)88)25-7-9-31(75)10-8-25)13-24-5-11-32(12-6-24)89-44-22-26-14-35(51(44)77)34-4-2-3-33-30(23-68-49(33)34)21-42(69-59(85)50(76)29-19-40(66)54(80)41(67)20-29)55(81)70-46(27-15-36(62)52(78)37(63)16-27)57(83)71-45(26)58(84)72-47(60(74)86)28-17-38(64)53(79)39(65)18-28/h2-12,14-20,22-23,42-43,45-48,68,75,77-80H,13,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t42-,43+,45-,46-,47-,48-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM


Bioorg Med Chem Lett 13: 573-5 (2003)

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


(Homo sapiens)
BDBM50123449
PNG
(CHEMBL437996 | Chloropeptin II)
Show SMILES CN1C(Cc2ccc(Oc3cc4cc(c3O)-c3ccc5c(CC(NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)NC(c6cc(Cl)c(O)c(Cl)c6)C(=O)NC4C(=O)NC(c4cc(Cl)c(O)c(Cl)c4)C1=O)c[nH]c5c3)cc2)C(=O)NC(C(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)
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n/an/a 130n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM


Bioorg Med Chem Lett 13: 573-5 (2003)

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)
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)
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)
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
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)
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)
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)
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)
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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PubMed
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)
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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PubMed
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)
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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PubMed
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)
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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PubMed
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)
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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PubMed
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)
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)
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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PubMed
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)
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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PubMed
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)
BDBM50217019
PNG
(((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(qui...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1cccc2cccnc12)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1COC(=O)NC(C)(C)C
Show InChI InChI=1S/C38H58N8O9/c1-23(2)31(44-34(50)27(15-7-8-17-39)42-30(49)22-54-28-16-9-12-25-13-10-18-40-33(25)28)35(51)41-20-29(48)43-32(24(3)47)36(52)46-19-11-14-26(46)21-55-37(53)45-38(4,5)6/h9-10,12-13,16,18,23-24,26-27,31-32,47H,7-8,11,14-15,17,19-22,39H2,1-6H3,(H,41,51)(H,42,49)(H,43,48)(H,44,50)(H,45,53)/t24-,26+,27+,31+,32+/m1/s1
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PubMed
n/an/an/a 2.60E+4n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


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


(Homo sapiens)
BDBM50217020
PNG
(CHEMBL231224 | adamantan-1-yl-carbamic acid (S)-2-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)COC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C43H63N7O9/c1-25(2)37(49-39(54)34(11-7-8-14-44)47-36(53)24-58-33-13-12-31-9-5-6-10-32(31)18-33)40(55)45-22-35(52)48-38(27(4)51)41(56)46-26(3)23-59-42(57)50-43-19-28-15-29(20-43)17-30(16-28)21-43/h5-6,9-10,12-13,18,25-30,34,37-38,51H,7-8,11,14-17,19-24,44H2,1-4H3,(H,45,55)(H,46,56)(H,47,53)(H,48,52)(H,49,54)(H,50,57)/t26-,27+,28?,29?,30?,34-,37-,38-,43?/m0/s1
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PubMed
n/an/an/a 8.00E+4n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


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


(Homo sapiens)
BDBM50217021
PNG
(CHEMBL388209 | tert-butyl-carbamic acid (S)-2-{(2S...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)COC(=O)NC(C)(C)C
Show InChI InChI=1S/C37H57N7O9/c1-22(2)31(34(49)39-19-29(46)42-32(24(4)45)35(50)40-23(3)20-53-36(51)44-37(5,6)7)43-33(48)28(14-10-11-17-38)41-30(47)21-52-27-16-15-25-12-8-9-13-26(25)18-27/h8-9,12-13,15-16,18,22-24,28,31-32,45H,10-11,14,17,19-21,38H2,1-7H3,(H,39,49)(H,40,50)(H,41,47)(H,42,46)(H,43,48)(H,44,51)/t23-,24+,28-,31-,32-/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


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


(Homo sapiens)
BDBM50217022
PNG
(CHEMBL388207 | O-((S)-1-((2S,3R)-2-(2-((S)-2-((S)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1COC(=S)NC1CC1
Show InChI InChI=1S/C38H55N7O8S/c1-23(2)33(44-35(49)30(12-6-7-17-39)42-32(48)22-52-29-16-13-25-9-4-5-10-26(25)19-29)36(50)40-20-31(47)43-34(24(3)46)37(51)45-18-8-11-28(45)21-53-38(54)41-27-14-15-27/h4-5,9-10,13,16,19,23-24,27-28,30,33-34,46H,6-8,11-12,14-15,17-18,20-22,39H2,1-3H3,(H,40,50)(H,41,54)(H,42,48)(H,43,47)(H,44,49)/t24-,28+,30+,33+,34+/m1/s1
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n/an/an/a 2.70E+4n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


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


(Homo sapiens)
BDBM50371093
PNG
(CHEMBL1791396)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C53H84N14O14S/c1-27(2)22-38(53(80)81)64-50(77)39-15-11-20-67(39)52(79)44(29(5)68)65-42(71)26-59-51(78)43(28(3)4)66-48(75)34(14-9-10-19-54)61-46(73)35(16-17-40(56)69)62-49(76)37(23-30-25-58-33-13-8-7-12-31(30)33)63-47(74)36(18-21-82-6)60-45(72)32(55)24-41(57)70/h7-8,12-13,25,27-29,32,34-39,43-44,58,68H,9-11,14-24,26,54-55H2,1-6H3,(H2,56,69)(H2,57,70)(H,59,78)(H,60,72)(H,61,73)(H,62,76)(H,63,74)(H,64,77)(H,65,71)(H,66,75)(H,80,81)/t29-,32-,34-,35-,36-,37-,38-,39-,43-,44-/m0/s1
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n/an/an/a 6.00E+6n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


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


(Homo sapiens)
BDBM50217025
PNG
(((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(nap...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1
Show InChI InChI=1S/C41H61N7O9/c1-26(2)36(47-38(52)33(17-9-10-20-42)45-35(51)25-56-32-19-18-28-12-7-8-13-29(28)22-32)39(53)43-23-34(50)46-37(27(3)49)40(54)48-21-11-16-31(48)24-57-41(55)44-30-14-5-4-6-15-30/h7-8,12-13,18-19,22,26-27,30-31,33,36-37,49H,4-6,9-11,14-17,20-21,23-25,42H2,1-3H3,(H,43,53)(H,44,55)(H,45,51)(H,46,50)(H,47,52)/t27-,31+,33+,36+,37+/m1/s1
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n/an/an/a 3.50E+4n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


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


(Homo sapiens)
BDBM50217023
PNG
((S)-2-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(quin...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1cccc2cccnc12)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)COC(=O)NC(C)(C)C
Show InChI InChI=1S/C36H56N8O9/c1-21(2)29(33(49)39-18-27(46)42-30(23(4)45)34(50)40-22(3)19-53-35(51)44-36(5,6)7)43-32(48)25(14-8-9-16-37)41-28(47)20-52-26-15-10-12-24-13-11-17-38-31(24)26/h10-13,15,17,21-23,25,29-30,45H,8-9,14,16,18-20,37H2,1-7H3,(H,39,49)(H,40,50)(H,41,47)(H,42,46)(H,43,48)(H,44,51)/t22-,23+,25-,29-,30-/m0/s1
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n/an/an/a 1.30E+4n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


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


(Homo sapiens)
BDBM50217026
PNG
(CHEMBL230798 | tert-Butyl-carbamic acid (S)-1-{(2S...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1COC(=O)NC(C)(C)C
Show InChI InChI=1S/C39H59N7O9/c1-24(2)33(44-35(50)30(15-9-10-18-40)42-32(49)23-54-29-17-16-26-12-7-8-13-27(26)20-29)36(51)41-21-31(48)43-34(25(3)47)37(52)46-19-11-14-28(46)22-55-38(53)45-39(4,5)6/h7-8,12-13,16-17,20,24-25,28,30,33-34,47H,9-11,14-15,18-19,21-23,40H2,1-6H3,(H,41,51)(H,42,49)(H,43,48)(H,44,50)(H,45,53)/t25-,28-,30-,33-,34-/m0/s1
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n/an/an/a 6.00E+3n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


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


(Homo sapiens)
BDBM50217028
PNG
(CHEMBL388208 | ethyl 2-((((S)-1-((2S,3R)-2-(2-((S)...)
Show SMILES CCOC(=O)CNC(=O)OC[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C39H57N7O11/c1-5-55-33(50)21-42-39(54)57-22-28-13-10-18-46(28)38(53)35(25(4)47)44-31(48)20-41-37(52)34(24(2)3)45-36(51)30(14-8-9-17-40)43-32(49)23-56-29-16-15-26-11-6-7-12-27(26)19-29/h6-7,11-12,15-16,19,24-25,28,30,34-35,47H,5,8-10,13-14,17-18,20-23,40H2,1-4H3,(H,41,52)(H,42,54)(H,43,49)(H,44,48)(H,45,51)/t25-,28+,30+,34+,35+/m1/s1
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n/an/an/a 2.60E+4n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


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


(Homo sapiens)
BDBM50217027
PNG
(((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(nap...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1COC(=O)NC1CCCC1
Show InChI InChI=1S/C40H59N7O9/c1-25(2)35(46-37(51)32(16-8-9-19-41)44-34(50)24-55-31-18-17-27-11-4-5-12-28(27)21-31)38(52)42-22-33(49)45-36(26(3)48)39(53)47-20-10-15-30(47)23-56-40(54)43-29-13-6-7-14-29/h4-5,11-12,17-18,21,25-26,29-30,32,35-36,48H,6-10,13-16,19-20,22-24,41H2,1-3H3,(H,42,52)(H,43,54)(H,44,50)(H,45,49)(H,46,51)/t26-,30+,32+,35+,36+/m1/s1
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n/an/an/a 1.60E+4n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


Citation and Details
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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PubMed
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)
BDBM50217029
PNG
((S)-2-((2S,3S)-2-(2-((S)-2-((S)-6-amino-2-(2-(naph...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)COC(=O)NC1CCCC1
Show InChI InChI=1S/C38H57N7O9/c1-23(2)33(45-35(49)30(15-9-10-18-39)43-32(48)22-53-29-17-16-26-11-5-6-12-27(26)19-29)36(50)40-20-31(47)44-34(25(4)46)37(51)41-24(3)21-54-38(52)42-28-13-7-8-14-28/h5-6,11-12,16-17,19,23-25,28,30,33-34,46H,7-10,13-15,18,20-22,39H2,1-4H3,(H,40,50)(H,41,51)(H,42,52)(H,43,48)(H,44,47)(H,45,49)/t24-,25-,30-,33-,34-/m0/s1
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n/an/an/a 6.20E+4n/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Binding affinity to CD4 by SPR assay


Citation and Details
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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PubMed
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)
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