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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P01730   
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
T-cell surface antigen CD4


(Homo sapiens)
BDBM50123450
PNG
(CHEMBL3143464 | CHEMBL412226 | Chloropeptin I anal...)
Show SMILES CN1[C@@H](Cc2ccc(Oc3cc4cc(c3O)-c3ccc5c(C[C@@H](NC(=O)C(O)(CC(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]c5c3)cc2)C(=O)N[C@@H](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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Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(02)00919-8
BindingDB Entry DOI: 10.7270/Q2416XK8
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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PubMed
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)


Article DOI: 10.1016/s0960-894x(02)00919-8
BindingDB Entry DOI: 10.7270/Q2416XK8
More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens)
BDBM50123449
PNG
(CHEMBL437996 | Chloropeptin II | ISOCOMPLESTATIN)
Show SMILES CN1[C@@H](Cc2ccc(Oc3cc4cc(c3O)-c3ccc5c(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]c5c3)cc2)C(=O)N[C@@H](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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Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(02)00919-8
BindingDB Entry DOI: 10.7270/Q2416XK8
More data for this
Ligand-Target Pair