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Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with Target = 'Tumor susceptibility gene 101 protein' 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
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50362892
PNG
(CHEMBL1946564)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc-2c(Cc3ccccc-23)c1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C58H75N11O18/c1-30(56(84)68-24-8-13-44(68)58(86)67-23-7-12-43(67)53(81)63-40(17-20-47(74)75)51(79)62-39(50(59)78)16-19-46(72)73)61-55(83)49(31(2)70)65-54(82)45-27-36(87-60-28-33-14-15-38-35(25-33)26-34-9-4-5-10-37(34)38)29-69(45)57(85)41(18-21-48(76)77)64-52(80)42-11-6-22-66(42)32(3)71/h4-5,9-10,14-15,25,28,30-31,36,39-45,49,70H,6-8,11-13,16-24,26-27,29H2,1-3H3,(H2,59,78)(H,61,83)(H,62,79)(H,63,81)(H,64,80)(H,65,82)(H,72,73)(H,74,75)(H,76,77)/b60-28+/t30-,31+,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50362891
PNG
(CHEMBL1946260)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C59H75N11O22/c1-30(56(85)69-24-6-9-42(69)58(87)68-23-5-8-41(68)53(82)64-38(16-20-47(75)76)51(80)63-37(50(60)79)15-19-46(73)74)62-55(84)49(31(2)71)66-54(83)43-26-36(28-70(43)57(86)39(17-21-48(77)78)65-52(81)40-7-4-22-67(40)32(3)72)92-61-27-33-10-13-35(14-11-33)91-59(88)34-12-18-44-45(25-34)90-29-89-44/h10-14,18,25,27,30-31,36-43,49,71H,4-9,15-17,19-24,26,28-29H2,1-3H3,(H2,60,79)(H,62,84)(H,63,80)(H,64,82)(H,65,81)(H,66,83)(H,73,74)(H,75,76)(H,77,78)/b61-27+/t30-,31+,36+,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50362890
PNG
(CHEMBL1946259)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc(o1)-c1nc2ccccc2s1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C56H72N12O19S/c1-28(54(83)67-24-8-12-39(67)56(85)66-23-7-11-38(66)50(80)61-35(16-20-44(73)74)48(78)60-34(47(57)77)15-19-43(71)72)59-52(82)46(29(2)69)64-51(81)40-25-32(87-58-26-31-14-18-41(86-31)53-63-33-9-4-5-13-42(33)88-53)27-68(40)55(84)36(17-21-45(75)76)62-49(79)37-10-6-22-65(37)30(3)70/h4-5,9,13-14,18,26,28-29,32,34-40,46,69H,6-8,10-12,15-17,19-25,27H2,1-3H3,(H2,57,77)(H,59,82)(H,60,78)(H,61,80)(H,62,79)(H,64,81)(H,71,72)(H,73,74)(H,75,76)/b58-26+/t28-,29+,32+,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1
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5.40E+3n/an/an/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50362889
PNG
(CHEMBL1946129)
Show SMILES COc1ccc(\C=N\O[C@@H]2C[C@H](N(C2)C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1OC
Show InChI InChI=1S/C53H75N11O20/c1-27(51(79)63-22-8-11-37(63)53(81)62-21-7-10-36(62)48(76)58-33(14-18-42(69)70)46(74)57-32(45(54)73)13-17-41(67)68)56-50(78)44(28(2)65)60-49(77)38-24-31(84-55-25-30-12-16-39(82-4)40(23-30)83-5)26-64(38)52(80)34(15-19-43(71)72)59-47(75)35-9-6-20-61(35)29(3)66/h12,16,23,25,27-28,31-38,44,65H,6-11,13-15,17-22,24,26H2,1-5H3,(H2,54,73)(H,56,78)(H,57,74)(H,58,76)(H,59,75)(H,60,77)(H,67,68)(H,69,70)(H,71,72)/b55-25+/t27-,28+,31+,32-,33-,34-,35-,36-,37-,38-,44-/m0/s1
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8.70E+3n/an/an/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230460
PNG
(5-[(1Z)-({[(2S,3S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-3...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccc(O)c(c2)C(O)=O)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C77H91N13O26S/c1-38(71(108)89-29-6-4-9-54(89)73(110)90-32-27-56(116-80-37-40-13-23-55(94)45(33-40)74(111)112)64(90)70(107)84-50(21-25-61(98)99)66(103)83-49(65(78)102)20-24-60(96)97)81-69(106)63(39(2)91)86-68(105)53-11-8-31-88(53)72(109)51(22-26-62(100)101)85-67(104)52-10-7-30-87(52)59(95)12-3-5-28-79-76(117)82-41-14-17-44-48(34-41)77(115-75(44)113)46-18-15-42(92)35-57(46)114-58-36-43(93)16-19-47(58)77/h13-19,23,33-39,49-54,56,63-64,91-94H,3-12,20-22,24-32H2,1-2H3,(H2,78,102)(H,81,106)(H,83,103)(H,84,107)(H,85,104)(H,86,105)(H,96,97)(H,98,99)(H,100,101)(H,111,112)(H2,79,82,117)/b80-37-/t38-,39+,49-,50-,51-,52-,53-,54?,56-,63-,64-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230450
PNG
(4-carbamoyl-4-(4-carboxy-2-{[(2S,3S)-1-({1-[(2S)-2...)
Show SMILES CC(O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccc(cc2)N(C)C)[C@H]1C(=O)NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(N)=O
Show InChI InChI=1S/C78H96N14O23S/c1-41(73(109)91-33-8-6-11-57(91)75(111)92-36-31-58(115-81-40-43-15-18-45(19-16-43)88(3)4)66(92)72(108)85-53(26-29-63(99)100)68(104)84-52(67(79)103)25-28-62(97)98)82-71(107)65(42(2)93)87-70(106)56-13-10-35-90(56)74(110)54(27-30-64(101)102)86-69(105)55-12-9-34-89(55)61(96)14-5-7-32-80-77(116)83-44-17-22-48-51(37-44)78(114-76(48)112)49-23-20-46(94)38-59(49)113-60-39-47(95)21-24-50(60)78/h15-24,37-42,52-58,65-66,93-95H,5-14,25-36H2,1-4H3,(H2,79,103)(H,82,107)(H,84,104)(H,85,108)(H,86,105)(H,87,106)(H,97,98)(H,99,100)(H,101,102)(H2,80,83,116)/b81-40-/t41-,42?,52?,53?,54-,55-,56-,57?,58-,65?,66-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230449
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C74H88N14O26S/c1-37(69(105)86-28-6-4-9-53(86)71(107)87-36-43(114-77-35-42-16-23-58(111-42)88(109)110)34-54(87)67(103)81-49(21-25-60(95)96)64(100)80-48(63(75)99)20-24-59(93)94)78-68(104)62(38(2)89)83-66(102)52-11-8-30-85(52)70(106)50(22-26-61(97)98)82-65(101)51-10-7-29-84(51)57(92)12-3-5-27-76-73(115)79-39-13-17-44-47(31-39)74(113-72(44)108)45-18-14-40(90)32-55(45)112-56-33-41(91)15-19-46(56)74/h13-19,23,31-33,35,37-38,43,48-54,62,89-91H,3-12,20-22,24-30,34,36H2,1-2H3,(H2,75,99)(H,78,104)(H,80,100)(H,81,103)(H,82,101)(H,83,102)(H,93,94)(H,95,96)(H,97,98)(H2,76,79,115)/b77-35-/t37-,38+,43+,48-,49-,50-,51-,52-,53?,54-,62-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50362891
PNG
(CHEMBL1946260)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C59H75N11O22/c1-30(56(85)69-24-6-9-42(69)58(87)68-23-5-8-41(68)53(82)64-38(16-20-47(75)76)51(80)63-37(50(60)79)15-19-46(73)74)62-55(84)49(31(2)71)66-54(83)43-26-36(28-70(43)57(86)39(17-21-48(77)78)65-52(81)40-7-4-22-67(40)32(3)72)92-61-27-33-10-13-35(14-11-33)91-59(88)34-12-18-44-45(25-34)90-29-89-44/h10-14,18,25,27,30-31,36-43,49,71H,4-9,15-17,19-24,26,28-29H2,1-3H3,(H2,60,79)(H,62,84)(H,63,80)(H,64,82)(H,65,81)(H,66,83)(H,73,74)(H,75,76)(H,77,78)/b61-27+/t30-,31+,36+,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human Tsg101 binding to GST-tagged P6 protein by surface plasmon resonance method


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230470
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/C(C)=Cc2ccccc2)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C79H95N13O23S/c1-42(37-45-13-5-4-6-14-45)41-82-115-59-31-36-92(67(59)73(108)86-54(26-29-64(99)100)69(104)85-53(68(80)103)25-28-63(97)98)76(111)58-15-8-10-33-91(58)74(109)43(2)83-72(107)66(44(3)93)88-71(106)57-17-12-35-90(57)75(110)55(27-30-65(101)102)87-70(105)56-16-11-34-89(56)62(96)18-7-9-32-81-78(116)84-46-19-22-49-52(38-46)79(114-77(49)112)50-23-20-47(94)39-60(50)113-61-40-48(95)21-24-51(61)79/h4-6,13-14,19-24,37-41,43-44,53-59,66-67,93-95H,7-12,15-18,25-36H2,1-3H3,(H2,80,103)(H,83,107)(H,85,104)(H,86,108)(H,87,105)(H,88,106)(H,97,98)(H,99,100)(H,101,102)(H2,81,84,116)/b42-37?,82-41-/t43-,44+,53-,54-,55-,56-,57-,58?,59-,66-,67-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50371256
PNG
(CHEMBL1162967)
Show SMILES COc1ccc(\C=N/OC2CCN(C2C(=O)NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(N)=O)C(=O)C2CCCCN2C(=O)C(C)NC(=O)C(NC(=O)C2CCCN2C(=O)C(CCC(O)=O)NC(=O)C2CCCN2C(=O)CCCCNC(=S)Nc2ccc3C(=O)OC4(c3c2)c2ccc(O)cc2Oc2cc(O)ccc42)C(C)O)cc1O
Show InChI InChI=1S/C77H93N13O25S/c1-39(72(108)89-30-7-5-10-54(89)74(110)90-33-28-57(115-80-38-41-14-24-56(112-3)55(94)34-41)65(90)71(107)84-50(22-26-62(98)99)67(103)83-49(66(78)102)21-25-61(96)97)81-70(106)64(40(2)91)86-69(105)53-12-9-32-88(53)73(109)51(23-27-63(100)101)85-68(104)52-11-8-31-87(52)60(95)13-4-6-29-79-76(116)82-42-15-18-45-48(35-42)77(114-75(45)111)46-19-16-43(92)36-58(46)113-59-37-44(93)17-20-47(59)77/h14-20,24,34-40,49-54,57,64-65,91-94H,4-13,21-23,25-33H2,1-3H3,(H2,78,102)(H,81,106)(H,83,103)(H,84,107)(H,85,104)(H,86,105)(H,96,97)(H,98,99)(H,100,101)(H2,79,82,116)/b80-38-
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n/an/a 1.30E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230469
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/C(C)=Cc1ccccc1
Show InChI InChI=1S/C79H95N13O23S/c1-42(35-45-13-5-4-6-14-45)40-82-115-49-39-60(72(107)86-55(26-29-65(99)100)69(104)85-54(68(80)103)25-28-64(97)98)92(41-49)76(111)59-15-8-10-32-91(59)74(109)43(2)83-73(108)67(44(3)93)88-71(106)58-17-12-34-90(58)75(110)56(27-30-66(101)102)87-70(105)57-16-11-33-89(57)63(96)18-7-9-31-81-78(116)84-46-19-22-50-53(36-46)79(114-77(50)112)51-23-20-47(94)37-61(51)113-62-38-48(95)21-24-52(62)79/h4-6,13-14,19-24,35-38,40,43-44,49,54-60,67,93-95H,7-12,15-18,25-34,39,41H2,1-3H3,(H2,80,103)(H,83,108)(H,85,104)(H,86,107)(H,87,105)(H,88,106)(H,97,98)(H,99,100)(H,101,102)(H2,81,84,116)/b42-35?,82-40-/t43-,44+,49+,54-,55-,56-,57-,58-,59?,60-,67-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230462
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccccc2)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C76H91N13O23S/c1-40(71(106)88-32-9-7-14-55(88)73(108)89-35-30-56(112-79-39-42-12-4-3-5-13-42)64(89)70(105)83-51(25-28-61(96)97)66(101)82-50(65(77)100)24-27-60(94)95)80-69(104)63(41(2)90)85-68(103)54-16-11-34-87(54)72(107)52(26-29-62(98)99)84-67(102)53-15-10-33-86(53)59(93)17-6-8-31-78-75(113)81-43-18-21-46-49(36-43)76(111-74(46)109)47-22-19-44(91)37-57(47)110-58-38-45(92)20-23-48(58)76/h3-5,12-13,18-23,36-41,50-56,63-64,90-92H,6-11,14-17,24-35H2,1-2H3,(H2,77,100)(H,80,104)(H,82,101)(H,83,105)(H,84,102)(H,85,103)(H,94,95)(H,96,97)(H,98,99)(H2,78,81,113)/b79-39-/t40-,41+,50-,51-,52-,53-,54-,55?,56-,63-,64-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230486
PNG
(5-[(1Z)-({[(3R,5S)-5-{[(1S)-1-{[(1S)-1-carbamoyl-3...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C77H91N13O26S/c1-38(71(108)89-28-6-4-9-55(89)73(110)90-37-44(116-80-36-40-13-23-57(94)46(31-40)74(111)112)35-56(90)69(106)84-51(21-25-62(98)99)66(103)83-50(65(78)102)20-24-61(96)97)81-70(107)64(39(2)91)86-68(105)54-11-8-30-88(54)72(109)52(22-26-63(100)101)85-67(104)53-10-7-29-87(53)60(95)12-3-5-27-79-76(117)82-41-14-17-45-49(32-41)77(115-75(45)113)47-18-15-42(92)33-58(47)114-59-34-43(93)16-19-48(59)77/h13-19,23,31-34,36,38-39,44,50-56,64,91-94H,3-12,20-22,24-30,35,37H2,1-2H3,(H2,78,102)(H,81,107)(H,83,103)(H,84,106)(H,85,104)(H,86,105)(H,96,97)(H,98,99)(H,100,101)(H,111,112)(H2,79,82,117)/b80-36-/t38-,39+,44+,50-,51-,52-,53-,54-,55?,56-,64-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230455
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/CCC(O)=O)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C73H91N13O25S/c1-37(68(105)85-30-6-4-10-51(85)70(107)86-33-27-52(111-76-29-7-14-56(91)92)61(86)67(104)80-47(22-25-58(95)96)63(100)79-46(62(74)99)21-24-57(93)94)77-66(103)60(38(2)87)82-65(102)50-12-9-32-84(50)69(106)48(23-26-59(97)98)81-64(101)49-11-8-31-83(49)55(90)13-3-5-28-75-72(112)78-39-15-18-42-45(34-39)73(110-71(42)108)43-19-16-40(88)35-53(43)109-54-36-41(89)17-20-44(54)73/h15-20,29,34-38,46-52,60-61,87-89H,3-14,21-28,30-33H2,1-2H3,(H2,74,99)(H,77,103)(H,79,100)(H,80,104)(H,81,101)(H,82,102)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H2,75,78,112)/b76-29-/t37-,38+,46-,47-,48-,49-,50-,51?,52-,60-,61-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230463
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES COc1ccc(\C=N/O[C@@H]2C[C@H](N(C2)C(=O)C2CCCCN2C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)CCCCNC(=S)Nc2ccc3C(=O)OC4(c3c2)c2ccc(O)cc2Oc2cc(O)ccc42)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1OC
Show InChI InChI=1S/C78H95N13O25S/c1-40(73(108)90-30-8-6-11-56(90)75(110)91-39-46(116-81-38-42-15-25-58(112-3)61(33-42)113-4)37-57(91)71(106)85-52(23-27-64(98)99)68(103)84-51(67(79)102)22-26-63(96)97)82-72(107)66(41(2)92)87-70(105)55-13-10-32-89(55)74(109)53(24-28-65(100)101)86-69(104)54-12-9-31-88(54)62(95)14-5-7-29-80-77(117)83-43-16-19-47-50(34-43)78(115-76(47)111)48-20-17-44(93)35-59(48)114-60-36-45(94)18-21-49(60)78/h15-21,25,33-36,38,40-41,46,51-57,66,92-94H,5-14,22-24,26-32,37,39H2,1-4H3,(H2,79,102)(H,82,107)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,117)/b81-38-/t40-,41+,46+,51-,52-,53-,54-,55-,56?,57-,66-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230467
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccc(cc2)[N+]([O-])=O)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C76H90N14O25S/c1-39(71(107)88-31-6-4-9-55(88)73(109)89-34-29-56(115-79-38-41-13-16-43(17-14-41)90(111)112)64(89)70(106)83-51(24-27-61(97)98)66(102)82-50(65(77)101)23-26-60(95)96)80-69(105)63(40(2)91)85-68(104)54-11-8-33-87(54)72(108)52(25-28-62(99)100)84-67(103)53-10-7-32-86(53)59(94)12-3-5-30-78-75(116)81-42-15-20-46-49(35-42)76(114-74(46)110)47-21-18-44(92)36-57(47)113-58-37-45(93)19-22-48(58)76/h13-22,35-40,50-56,63-64,91-93H,3-12,23-34H2,1-2H3,(H2,77,101)(H,80,105)(H,82,102)(H,83,106)(H,84,103)(H,85,104)(H,95,96)(H,97,98)(H,99,100)(H2,78,81,116)/b79-38-/t39-,40+,50-,51-,52-,53-,54-,55?,56-,63-,64-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230447
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccc-3c(Cc4ccccc-34)c2)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C83H95N13O23S/c1-43(78(113)95-33-8-6-13-62(95)80(115)96-36-31-63(119-86-42-45-17-21-52-47(37-45)38-46-11-3-4-12-51(46)52)71(96)77(112)90-58(26-29-68(103)104)73(108)89-57(72(84)107)25-28-67(101)102)87-76(111)70(44(2)97)92-75(110)61-15-10-35-94(61)79(114)59(27-30-69(105)106)91-74(109)60-14-9-34-93(60)66(100)16-5-7-32-85-82(120)88-48-18-22-53-56(39-48)83(118-81(53)116)54-23-19-49(98)40-64(54)117-65-41-50(99)20-24-55(65)83/h3-4,11-12,17-24,37,39-44,57-63,70-71,97-99H,5-10,13-16,25-36,38H2,1-2H3,(H2,84,107)(H,87,111)(H,89,108)(H,90,112)(H,91,109)(H,92,110)(H,101,102)(H,103,104)(H,105,106)(H2,85,88,120)/b86-42-/t43-,44+,57-,58-,59-,60-,61-,62?,63-,70-,71-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230481
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(cc1)N(C)C
Show InChI InChI=1S/C78H96N14O23S/c1-41(73(109)91-32-8-6-11-58(91)75(111)92-40-48(115-81-39-43-15-18-45(19-16-43)88(3)4)38-59(92)71(107)85-54(26-29-64(99)100)68(104)84-53(67(79)103)25-28-63(97)98)82-72(108)66(42(2)93)87-70(106)57-13-10-34-90(57)74(110)55(27-30-65(101)102)86-69(105)56-12-9-33-89(56)62(96)14-5-7-31-80-77(116)83-44-17-22-49-52(35-44)78(114-76(49)112)50-23-20-46(94)36-60(50)113-61-37-47(95)21-24-51(61)78/h15-24,35-37,39,41-42,48,53-59,66,93-95H,5-14,25-34,38,40H2,1-4H3,(H2,79,103)(H,82,108)(H,84,104)(H,85,107)(H,86,105)(H,87,106)(H,97,98)(H,99,100)(H,101,102)(H2,80,83,116)/b81-39-/t41-,42+,48+,53-,54-,55-,56-,57-,58?,59-,66-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230454
PNG
((4S)-4-{[(2S,3S)-3-{[(Z)-{[4-(benzyloxy)phenyl]met...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccc(OCc3ccccc3)cc2)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C83H97N13O24S/c1-45(78(113)95-36-9-7-14-62(95)80(115)96-39-34-63(120-86-43-47-18-23-52(24-19-47)117-44-48-12-4-3-5-13-48)71(96)77(112)90-58(29-32-68(103)104)73(108)89-57(72(84)107)28-31-67(101)102)87-76(111)70(46(2)97)92-75(110)61-16-11-38-94(61)79(114)59(30-33-69(105)106)91-74(109)60-15-10-37-93(60)66(100)17-6-8-35-85-82(121)88-49-20-25-53-56(40-49)83(119-81(53)116)54-26-21-50(98)41-64(54)118-65-42-51(99)22-27-55(65)83/h3-5,12-13,18-27,40-43,45-46,57-63,70-71,97-99H,6-11,14-17,28-39,44H2,1-2H3,(H2,84,107)(H,87,111)(H,89,108)(H,90,112)(H,91,109)(H,92,110)(H,101,102)(H,103,104)(H,105,106)(H2,85,88,121)/b86-43-/t45-,46+,57-,58-,59-,60-,61-,62?,63-,70-,71-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230445
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccc(o2)[N+]([O-])=O)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C74H88N14O26S/c1-37(69(105)86-29-6-4-9-52(86)71(107)87-32-27-53(114-77-36-42-16-23-57(111-42)88(109)110)62(87)68(104)81-48(21-25-59(95)96)64(100)80-47(63(75)99)20-24-58(93)94)78-67(103)61(38(2)89)83-66(102)51-11-8-31-85(51)70(106)49(22-26-60(97)98)82-65(101)50-10-7-30-84(50)56(92)12-3-5-28-76-73(115)79-39-13-17-43-46(33-39)74(113-72(43)108)44-18-14-40(90)34-54(44)112-55-35-41(91)15-19-45(55)74/h13-19,23,33-38,47-53,61-62,89-91H,3-12,20-22,24-32H2,1-2H3,(H2,75,99)(H,78,103)(H,80,100)(H,81,104)(H,82,101)(H,83,102)(H,93,94)(H,95,96)(H,97,98)(H2,76,79,115)/b77-36-/t37-,38+,47-,48-,49-,50-,51-,52?,53-,61-,62-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230473
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2c(F)c(F)c(F)c(F)c2F)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C76H86F5N13O23S/c1-35(71(111)93-27-6-4-9-50(93)73(113)94-30-25-51(117-84-34-41-58(77)60(79)62(81)61(80)59(41)78)64(94)70(110)88-46(20-23-56(101)102)66(106)87-45(65(82)105)19-22-55(99)100)85-69(109)63(36(2)95)90-68(108)49-11-8-29-92(49)72(112)47(21-24-57(103)104)89-67(107)48-10-7-28-91(48)54(98)12-3-5-26-83-75(118)86-37-13-16-40-44(31-37)76(116-74(40)114)42-17-14-38(96)32-52(42)115-53-33-39(97)15-18-43(53)76/h13-18,31-36,45-51,63-64,95-97H,3-12,19-30H2,1-2H3,(H2,82,105)(H,85,109)(H,87,106)(H,88,110)(H,89,107)(H,90,108)(H,99,100)(H,101,102)(H,103,104)(H2,83,86,118)/b84-34-/t35-,36+,45-,46-,47-,48-,49-,50?,51-,63-,64-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230442
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2cnc3ccccc3c2)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C79H92N14O23S/c1-41(74(110)92-31-8-6-13-58(92)76(112)93-34-29-59(116-83-40-43-35-44-11-3-4-12-52(44)82-39-43)67(93)73(109)87-54(24-27-64(100)101)69(105)86-53(68(80)104)23-26-63(98)99)84-72(108)66(42(2)94)89-71(107)57-15-10-33-91(57)75(111)55(25-28-65(102)103)88-70(106)56-14-9-32-90(56)62(97)16-5-7-30-81-78(117)85-45-17-20-48-51(36-45)79(115-77(48)113)49-21-18-46(95)37-60(49)114-61-38-47(96)19-22-50(61)79/h3-4,11-12,17-22,35-42,53-59,66-67,94-96H,5-10,13-16,23-34H2,1-2H3,(H2,80,104)(H,84,108)(H,86,105)(H,87,109)(H,88,106)(H,89,107)(H,98,99)(H,100,101)(H,102,103)(H2,81,85,117)/b83-40-/t41-,42+,53-,54-,55-,56-,57-,58?,59-,66-,67-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230490
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccoc2)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C74H89N13O24S/c1-38(69(104)86-28-6-4-9-53(86)71(106)87-31-25-54(111-77-36-40-26-32-108-37-40)62(87)68(103)81-49(20-23-59(94)95)64(99)80-48(63(75)98)19-22-58(92)93)78-67(102)61(39(2)88)83-66(101)52-11-8-30-85(52)70(105)50(21-24-60(96)97)82-65(100)51-10-7-29-84(51)57(91)12-3-5-27-76-73(112)79-41-13-16-44-47(33-41)74(110-72(44)107)45-17-14-42(89)34-55(45)109-56-35-43(90)15-18-46(56)74/h13-18,26,32-39,48-54,61-62,88-90H,3-12,19-25,27-31H2,1-2H3,(H2,75,98)(H,78,102)(H,80,99)(H,81,103)(H,82,100)(H,83,101)(H,92,93)(H,94,95)(H,96,97)(H2,76,79,112)/b77-36-/t38-,39+,48-,49-,50-,51-,52-,53?,54-,61-,62-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230479
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(cc1)C#N
Show InChI InChI=1S/C77H90N14O23S/c1-40(72(108)90-30-6-4-9-57(90)74(110)91-39-47(114-81-38-43-15-13-42(37-78)14-16-43)36-58(91)70(106)85-53(24-27-63(98)99)67(103)84-52(66(79)102)23-26-62(96)97)82-71(107)65(41(2)92)87-69(105)56-11-8-32-89(56)73(109)54(25-28-64(100)101)86-68(104)55-10-7-31-88(55)61(95)12-3-5-29-80-76(115)83-44-17-20-48-51(33-44)77(113-75(48)111)49-21-18-45(93)34-59(49)112-60-35-46(94)19-22-50(60)77/h13-22,33-35,38,40-41,47,52-58,65,92-94H,3-12,23-32,36,39H2,1-2H3,(H2,79,102)(H,82,107)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,115)/b81-38-/t40-,41+,47+,52-,53-,54-,55-,56-,57?,58-,65-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230492
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/CCc2ccccc2)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C78H95N13O23S/c1-42(73(108)90-35-9-7-16-57(90)75(110)91-38-32-58(114-81-34-10-15-44-13-4-3-5-14-44)66(91)72(107)85-53(27-30-63(98)99)68(103)84-52(67(79)102)26-29-62(96)97)82-71(106)65(43(2)92)87-70(105)56-18-12-37-89(56)74(109)54(28-31-64(100)101)86-69(104)55-17-11-36-88(55)61(95)19-6-8-33-80-77(115)83-45-20-23-48-51(39-45)78(113-76(48)111)49-24-21-46(93)40-59(49)112-60-41-47(94)22-25-50(60)78/h3-5,13-14,20-25,34,39-43,52-58,65-66,92-94H,6-12,15-19,26-33,35-38H2,1-2H3,(H2,79,102)(H,82,106)(H,84,103)(H,85,107)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,115)/b81-34-/t42-,43+,52-,53-,54-,55-,56-,57?,58-,65-,66-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230483
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C76H90N14O25S/c1-39(71(107)88-30-6-4-9-56(88)73(109)89-38-46(115-79-37-41-13-16-43(17-14-41)90(111)112)36-57(89)69(105)83-52(24-27-62(97)98)66(102)82-51(65(77)101)23-26-61(95)96)80-70(106)64(40(2)91)85-68(104)55-11-8-32-87(55)72(108)53(25-28-63(99)100)84-67(103)54-10-7-31-86(54)60(94)12-3-5-29-78-75(116)81-42-15-20-47-50(33-42)76(114-74(47)110)48-21-18-44(92)34-58(48)113-59-35-45(93)19-22-49(59)76/h13-22,33-35,37,39-40,46,51-57,64,91-93H,3-12,23-32,36,38H2,1-2H3,(H2,77,101)(H,80,106)(H,82,102)(H,83,105)(H,84,103)(H,85,104)(H,95,96)(H,97,98)(H,99,100)(H2,78,81,116)/b79-37-/t39-,40+,46+,51-,52-,53-,54-,55-,56?,57-,64-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230477
PNG
((4S)-4-{[(2S,3S)-3-(aminooxy)-1-({1-[(2S)-2-[(2S,3...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](ON)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C69H87N13O23S/c1-34(64(99)81-27-6-4-9-48(81)66(101)82-30-25-49(105-71)57(82)63(98)76-44(20-23-54(89)90)59(94)75-43(58(70)93)19-22-53(87)88)73-62(97)56(35(2)83)78-61(96)47-11-8-29-80(47)65(100)45(21-24-55(91)92)77-60(95)46-10-7-28-79(46)52(86)12-3-5-26-72-68(106)74-36-13-16-39-42(31-36)69(104-67(39)102)40-17-14-37(84)32-50(40)103-51-33-38(85)15-18-41(51)69/h13-18,31-35,43-49,56-57,83-85H,3-12,19-30,71H2,1-2H3,(H2,70,93)(H,73,97)(H,75,94)(H,76,98)(H,77,95)(H,78,96)(H,87,88)(H,89,90)(H,91,92)(H2,72,74,106)/t34-,35+,43-,44-,45-,46-,47-,48?,49-,56-,57-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230457
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccncc2)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C75H90N14O23S/c1-39(70(106)88-31-6-4-9-54(88)72(108)89-34-27-55(112-79-38-41-25-29-77-30-26-41)63(89)69(105)83-50(20-23-60(96)97)65(101)82-49(64(76)100)19-22-59(94)95)80-68(104)62(40(2)90)85-67(103)53-11-8-33-87(53)71(107)51(21-24-61(98)99)84-66(102)52-10-7-32-86(52)58(93)12-3-5-28-78-74(113)81-42-13-16-45-48(35-42)75(111-73(45)109)46-17-14-43(91)36-56(46)110-57-37-44(92)15-18-47(57)75/h13-18,25-26,29-30,35-40,49-55,62-63,90-92H,3-12,19-24,27-28,31-34H2,1-2H3,(H2,76,100)(H,80,104)(H,82,101)(H,83,105)(H,84,102)(H,85,103)(H,94,95)(H,96,97)(H,98,99)(H2,78,81,113)/b79-38-/t39-,40+,49-,50-,51-,52-,53-,54?,55-,62-,63-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230464
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccc(cc2)C#N)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C77H90N14O23S/c1-40(72(108)90-31-6-4-9-56(90)74(110)91-34-29-57(114-81-39-43-15-13-42(38-78)14-16-43)65(91)71(107)85-52(24-27-62(98)99)67(103)84-51(66(79)102)23-26-61(96)97)82-70(106)64(41(2)92)87-69(105)55-11-8-33-89(55)73(109)53(25-28-63(100)101)86-68(104)54-10-7-32-88(54)60(95)12-3-5-30-80-76(115)83-44-17-20-47-50(35-44)77(113-75(47)111)48-21-18-45(93)36-58(48)112-59-37-46(94)19-22-49(59)77/h13-22,35-37,39-41,51-57,64-65,92-94H,3-12,23-34H2,1-2H3,(H2,79,102)(H,82,106)(H,84,103)(H,85,107)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,115)/b81-39-/t40-,41+,51-,52-,53-,54-,55-,56?,57-,64-,65-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230448
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES COc1ccc(\C=N/O[C@H]2CCN([C@@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)C(=O)C2CCCCN2C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)CCCCNC(=S)Nc2ccc3C(=O)OC4(c3c2)c2ccc(O)cc2Oc2cc(O)ccc42)[C@@H](C)O)cc1OC
Show InChI InChI=1S/C78H95N13O25S/c1-40(73(108)90-31-8-6-11-55(90)75(110)91-34-29-57(116-81-39-42-15-25-56(112-3)60(35-42)113-4)66(91)72(107)85-51(23-27-63(98)99)68(103)84-50(67(79)102)22-26-62(96)97)82-71(106)65(41(2)92)87-70(105)54-13-10-33-89(54)74(109)52(24-28-64(100)101)86-69(104)53-12-9-32-88(53)61(95)14-5-7-30-80-77(117)83-43-16-19-46-49(36-43)78(115-76(46)111)47-20-17-44(93)37-58(47)114-59-38-45(94)18-21-48(59)78/h15-21,25,35-41,50-55,57,65-66,92-94H,5-14,22-24,26-34H2,1-4H3,(H2,79,102)(H,82,106)(H,84,103)(H,85,107)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,117)/b81-39-/t40-,41+,50-,51-,52-,53-,54-,55?,57-,65-,66-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230451
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES COc1ccc(\C=N/O[C@@H]2C[C@H](N(C2)C(=O)C2CCCCN2C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)CCCCNC(=S)Nc2ccc3C(=O)OC4(c3c2)c2ccc(O)cc2Oc2cc(O)ccc42)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1O
Show InChI InChI=1S/C77H93N13O25S/c1-39(72(108)89-29-7-5-10-55(89)74(110)90-38-45(115-80-37-41-14-24-58(112-3)57(94)32-41)36-56(90)70(106)84-51(22-26-63(98)99)67(103)83-50(66(78)102)21-25-62(96)97)81-71(107)65(40(2)91)86-69(105)54-12-9-31-88(54)73(109)52(23-27-64(100)101)85-68(104)53-11-8-30-87(53)61(95)13-4-6-28-79-76(116)82-42-15-18-46-49(33-42)77(114-75(46)111)47-19-16-43(92)34-59(47)113-60-35-44(93)17-20-48(60)77/h14-20,24,32-35,37,39-40,45,50-56,65,91-94H,4-13,21-23,25-31,36,38H2,1-3H3,(H2,78,102)(H,81,107)(H,83,103)(H,84,106)(H,85,104)(H,86,105)(H,96,97)(H,98,99)(H,100,101)(H2,79,82,116)/b80-37-/t39-,40+,45+,50-,51-,52-,53-,54-,55?,56-,65-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230485
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES CCCCC\C=N/O[C@H]1CCN([C@@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)C(=O)C1CCCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)[C@@H](C)O
Show InChI InChI=1S/C75H97N13O23S/c1-4-5-6-9-32-78-111-55-30-36-88(63(55)69(104)82-50(25-28-60(95)96)65(100)81-49(64(76)99)24-27-59(93)94)72(107)54-14-8-11-33-87(54)70(105)40(2)79-68(103)62(41(3)89)84-67(102)53-16-13-35-86(53)71(106)51(26-29-61(97)98)83-66(101)52-15-12-34-85(52)58(92)17-7-10-31-77-74(112)80-42-18-21-45-48(37-42)75(110-73(45)108)46-22-19-43(90)38-56(46)109-57-39-44(91)20-23-47(57)75/h18-23,32,37-41,49-55,62-63,89-91H,4-17,24-31,33-36H2,1-3H3,(H2,76,99)(H,79,103)(H,81,100)(H,82,104)(H,83,101)(H,84,102)(H,93,94)(H,95,96)(H,97,98)(H2,77,80,112)/b78-32-/t40-,41+,49-,50-,51-,52-,53-,54?,55-,62-,63-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230487
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/c2ccc(CO)o2)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C75H91N13O25S/c1-38(70(106)87-29-6-4-9-54(87)72(108)88-32-27-55(113-78-36-43-16-17-44(37-89)110-43)63(88)69(105)82-50(22-25-60(96)97)65(101)81-49(64(76)100)21-24-59(94)95)79-68(104)62(39(2)90)84-67(103)53-11-8-31-86(53)71(107)51(23-26-61(98)99)83-66(102)52-10-7-30-85(52)58(93)12-3-5-28-77-74(114)80-40-13-18-45-48(33-40)75(112-73(45)109)46-19-14-41(91)34-56(46)111-57-35-42(92)15-20-47(57)75/h13-20,33-36,38-39,49-55,62-63,89-92H,3-12,21-32,37H2,1-2H3,(H2,76,100)(H,79,104)(H,81,101)(H,82,105)(H,83,102)(H,84,103)(H,94,95)(H,96,97)(H,98,99)(H2,77,80,114)/b78-36-/t38-,39+,49-,50-,51-,52-,53-,54?,55-,62-,63-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230482
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1cnc2ccccc2c1
Show InChI InChI=1S/C79H92N14O23S/c1-41(74(110)92-30-8-6-13-59(92)76(112)93-40-48(116-83-39-43-33-44-11-3-4-12-53(44)82-38-43)37-60(93)72(108)87-55(24-27-65(100)101)69(105)86-54(68(80)104)23-26-64(98)99)84-73(109)67(42(2)94)89-71(107)58-15-10-32-91(58)75(111)56(25-28-66(102)103)88-70(106)57-14-9-31-90(57)63(97)16-5-7-29-81-78(117)85-45-17-20-49-52(34-45)79(115-77(49)113)50-21-18-46(95)35-61(50)114-62-36-47(96)19-22-51(62)79/h3-4,11-12,17-22,33-36,38-39,41-42,48,54-60,67,94-96H,5-10,13-16,23-32,37,40H2,1-2H3,(H2,80,104)(H,84,109)(H,86,105)(H,87,108)(H,88,106)(H,89,107)(H,98,99)(H,100,101)(H,102,103)(H2,81,85,117)/b83-39-/t41-,42+,48+,54-,55-,56-,57-,58-,59?,60-,67-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230475
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/CCc1ccccc1
Show InChI InChI=1S/C78H95N13O23S/c1-42(73(108)90-34-9-7-16-58(90)75(110)91-41-48(114-81-33-10-15-44-13-4-3-5-14-44)40-59(91)71(106)85-54(27-30-64(98)99)68(103)84-53(67(79)102)26-29-63(96)97)82-72(107)66(43(2)92)87-70(105)57-18-12-36-89(57)74(109)55(28-31-65(100)101)86-69(104)56-17-11-35-88(56)62(95)19-6-8-32-80-77(115)83-45-20-23-49-52(37-45)78(113-76(49)111)50-24-21-46(93)38-60(50)112-61-39-47(94)22-25-51(61)78/h3-5,13-14,20-25,33,37-39,42-43,48,53-59,66,92-94H,6-12,15-19,26-32,34-36,40-41H2,1-2H3,(H2,79,102)(H,82,107)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,115)/b81-33-/t42-,43+,48+,53-,54-,55-,56-,57-,58?,59-,66-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230465
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(CO)o1
Show InChI InChI=1S/C75H91N13O25S/c1-38(70(106)87-28-6-4-9-55(87)72(108)88-36-45(113-78-35-43-16-17-44(37-89)110-43)34-56(88)68(104)82-51(22-25-61(96)97)65(101)81-50(64(76)100)21-24-60(94)95)79-69(105)63(39(2)90)84-67(103)54-11-8-30-86(54)71(107)52(23-26-62(98)99)83-66(102)53-10-7-29-85(53)59(93)12-3-5-27-77-74(114)80-40-13-18-46-49(31-40)75(112-73(46)109)47-19-14-41(91)32-57(47)111-58-33-42(92)15-20-48(58)75/h13-20,31-33,35,38-39,45,50-56,63,89-92H,3-12,21-30,34,36-37H2,1-2H3,(H2,76,100)(H,79,105)(H,81,101)(H,82,104)(H,83,102)(H,84,103)(H,94,95)(H,96,97)(H,98,99)(H2,77,80,114)/b78-35-/t38-,39+,45+,50-,51-,52-,53-,54-,55?,56-,63-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230444
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccccc1
Show InChI InChI=1S/C76H91N13O23S/c1-40(71(106)88-31-9-7-14-56(88)73(108)89-39-46(112-79-38-42-12-4-3-5-13-42)37-57(89)69(104)83-52(25-28-62(96)97)66(101)82-51(65(77)100)24-27-61(94)95)80-70(105)64(41(2)90)85-68(103)55-16-11-33-87(55)72(107)53(26-29-63(98)99)84-67(102)54-15-10-32-86(54)60(93)17-6-8-30-78-75(113)81-43-18-21-47-50(34-43)76(111-74(47)109)48-22-19-44(91)35-58(48)110-59-36-45(92)20-23-49(59)76/h3-5,12-13,18-23,34-36,38,40-41,46,51-57,64,90-92H,6-11,14-17,24-33,37,39H2,1-2H3,(H2,77,100)(H,80,105)(H,82,101)(H,83,104)(H,84,102)(H,85,103)(H,94,95)(H,96,97)(H,98,99)(H2,78,81,113)/b79-38-/t40-,41+,46+,51-,52-,53-,54-,55-,56?,57-,64-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230466
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/CCC(O)=O
Show InChI InChI=1S/C73H91N13O25S/c1-37(68(105)85-29-6-4-10-52(85)70(107)86-36-42(111-76-28-7-14-57(91)92)35-53(86)66(103)80-48(22-25-59(95)96)63(100)79-47(62(74)99)21-24-58(93)94)77-67(104)61(38(2)87)82-65(102)51-12-9-31-84(51)69(106)49(23-26-60(97)98)81-64(101)50-11-8-30-83(50)56(90)13-3-5-27-75-72(112)78-39-15-18-43-46(32-39)73(110-71(43)108)44-19-16-40(88)33-54(44)109-55-34-41(89)17-20-45(55)73/h15-20,28,32-34,37-38,42,47-53,61,87-89H,3-14,21-27,29-31,35-36H2,1-2H3,(H2,74,99)(H,77,104)(H,79,100)(H,80,103)(H,81,101)(H,82,102)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H2,75,78,112)/b76-28-/t37-,38+,42+,47-,48-,49-,50-,51-,52?,53-,61-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230493
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc-2c(Cc3ccccc-23)c1
Show InChI InChI=1S/C83H95N13O23S/c1-43(78(113)95-32-8-6-13-63(95)80(115)96-42-51(119-86-41-45-17-21-53-47(35-45)36-46-11-3-4-12-52(46)53)40-64(96)76(111)90-59(26-29-69(103)104)73(108)89-58(72(84)107)25-28-68(101)102)87-77(112)71(44(2)97)92-75(110)62-15-10-34-94(62)79(114)60(27-30-70(105)106)91-74(109)61-14-9-33-93(61)67(100)16-5-7-31-85-82(120)88-48-18-22-54-57(37-48)83(118-81(54)116)55-23-19-49(98)38-65(55)117-66-39-50(99)20-24-56(66)83/h3-4,11-12,17-24,35,37-39,41,43-44,51,58-64,71,97-99H,5-10,13-16,25-34,36,40,42H2,1-2H3,(H2,84,107)(H,87,112)(H,89,108)(H,90,111)(H,91,109)(H,92,110)(H,101,102)(H,103,104)(H,105,106)(H2,85,88,120)/b86-41-/t43-,44+,51+,58-,59-,60-,61-,62-,63?,64-,71-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230446
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccncc1
Show InChI InChI=1S/C75H90N14O23S/c1-39(70(106)88-30-6-4-9-55(88)72(108)89-38-45(112-79-37-41-25-28-77-29-26-41)36-56(89)68(104)83-51(20-23-61(96)97)65(101)82-50(64(76)100)19-22-60(94)95)80-69(105)63(40(2)90)85-67(103)54-11-8-32-87(54)71(107)52(21-24-62(98)99)84-66(102)53-10-7-31-86(53)59(93)12-3-5-27-78-74(113)81-42-13-16-46-49(33-42)75(111-73(46)109)47-17-14-43(91)34-57(47)110-58-35-44(92)15-18-48(58)75/h13-18,25-26,28-29,33-35,37,39-40,45,50-56,63,90-92H,3-12,19-24,27,30-32,36,38H2,1-2H3,(H2,76,100)(H,80,105)(H,82,101)(H,83,104)(H,84,102)(H,85,103)(H,94,95)(H,96,97)(H,98,99)(H2,78,81,113)/b79-37-/t39-,40+,45+,50-,51-,52-,53-,54-,55?,56-,63-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230452
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccoc1
Show InChI InChI=1S/C74H89N13O24S/c1-38(69(104)86-27-6-4-9-54(86)71(106)87-36-44(111-77-35-40-25-30-108-37-40)34-55(87)67(102)81-50(20-23-60(94)95)64(99)80-49(63(75)98)19-22-59(92)93)78-68(103)62(39(2)88)83-66(101)53-11-8-29-85(53)70(105)51(21-24-61(96)97)82-65(100)52-10-7-28-84(52)58(91)12-3-5-26-76-73(112)79-41-13-16-45-48(31-41)74(110-72(45)107)46-17-14-42(89)32-56(46)109-57-33-43(90)15-18-47(57)74/h13-18,25,30-33,35,37-39,44,49-55,62,88-90H,3-12,19-24,26-29,34,36H2,1-2H3,(H2,75,98)(H,78,103)(H,80,99)(H,81,102)(H,82,100)(H,83,101)(H,92,93)(H,94,95)(H,96,97)(H2,76,79,112)/b77-35-/t38-,39+,44+,49-,50-,51-,52-,53-,54?,55-,62-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230474
PNG
((4S)-4-{[(2S,4R)-4-{[(Z)-{[4-(benzyloxy)phenyl]met...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C83H97N13O24S/c1-45(78(113)95-35-9-7-14-63(95)80(115)96-43-53(120-86-42-47-18-23-52(24-19-47)117-44-48-12-4-3-5-13-48)41-64(96)76(111)90-59(29-32-69(103)104)73(108)89-58(72(84)107)28-31-68(101)102)87-77(112)71(46(2)97)92-75(110)62-16-11-37-94(62)79(114)60(30-33-70(105)106)91-74(109)61-15-10-36-93(61)67(100)17-6-8-34-85-82(121)88-49-20-25-54-57(38-49)83(119-81(54)116)55-26-21-50(98)39-65(55)118-66-40-51(99)22-27-56(66)83/h3-5,12-13,18-27,38-40,42,45-46,53,58-64,71,97-99H,6-11,14-17,28-37,41,43-44H2,1-2H3,(H2,84,107)(H,87,112)(H,89,108)(H,90,111)(H,91,109)(H,92,110)(H,101,102)(H,103,104)(H,105,106)(H2,85,88,121)/b86-42-/t45-,46+,53+,58-,59-,60-,61-,62-,63?,64-,71-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230461
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C76H86F5N13O23S/c1-35(71(111)93-26-6-4-9-51(93)73(113)94-34-40(117-84-33-42-59(77)61(79)63(81)62(80)60(42)78)32-52(94)69(109)88-47(20-23-57(101)102)66(106)87-46(65(82)105)19-22-56(99)100)85-70(110)64(36(2)95)90-68(108)50-11-8-28-92(50)72(112)48(21-24-58(103)104)89-67(107)49-10-7-27-91(49)55(98)12-3-5-25-83-75(118)86-37-13-16-41-45(29-37)76(116-74(41)114)43-17-14-38(96)30-53(43)115-54-31-39(97)15-18-44(54)76/h13-18,29-31,33,35-36,40,46-52,64,95-97H,3-12,19-28,32,34H2,1-2H3,(H2,82,105)(H,85,110)(H,87,106)(H,88,109)(H,89,107)(H,90,108)(H,99,100)(H,101,102)(H,103,104)(H2,83,86,118)/b84-33-/t35-,36+,40+,46-,47-,48-,49-,50-,51?,52-,64-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230491
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES CCCCC\C=N/O[C@@H]1C[C@H](N(C1)C(=O)C1CCCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C75H97N13O23S/c1-4-5-6-9-31-78-111-45-38-56(68(103)82-51(25-28-61(95)96)65(100)81-50(64(76)99)24-27-60(93)94)88(39-45)72(107)55-14-8-11-32-87(55)70(105)40(2)79-69(104)63(41(3)89)84-67(102)54-16-13-34-86(54)71(106)52(26-29-62(97)98)83-66(101)53-15-12-33-85(53)59(92)17-7-10-30-77-74(112)80-42-18-21-46-49(35-42)75(110-73(46)108)47-22-19-43(90)36-57(47)109-58-37-44(91)20-23-48(58)75/h18-23,31,35-37,40-41,45,50-56,63,89-91H,4-17,24-30,32-34,38-39H2,1-3H3,(H2,76,99)(H,79,104)(H,81,100)(H,82,103)(H,83,101)(H,84,102)(H,93,94)(H,95,96)(H,97,98)(H2,77,80,112)/b78-31-/t40-,41+,45+,50-,51-,52-,53-,54-,55?,56-,63-/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230456
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES CCCCCCCC\C=N/O[C@H]1CCN([C@@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)C(=O)C1CCCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)[C@@H](C)O
Show InChI InChI=1S/C78H103N13O23S/c1-4-5-6-7-8-9-12-35-81-114-58-33-39-91(66(58)72(107)85-53(28-31-63(98)99)68(103)84-52(67(79)102)27-30-62(96)97)75(110)57-17-11-14-36-90(57)73(108)43(2)82-71(106)65(44(3)92)87-70(105)56-19-16-38-89(56)74(109)54(29-32-64(100)101)86-69(104)55-18-15-37-88(55)61(95)20-10-13-34-80-77(115)83-45-21-24-48-51(40-45)78(113-76(48)111)49-25-22-46(93)41-59(49)112-60-42-47(94)23-26-50(60)78/h21-26,35,40-44,52-58,65-66,92-94H,4-20,27-34,36-39H2,1-3H3,(H2,79,102)(H,82,106)(H,84,103)(H,85,107)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,115)/b81-35-/t43-,44+,52-,53-,54-,55-,56-,57?,58-,65-,66-/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230495
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(cc1)N(C)C
Show InChI InChI=1S/C78H96N14O23S/c1-41(73(109)91-32-8-6-11-58(91)75(111)92-40-48(115-81-39-43-15-18-45(19-16-43)88(3)4)38-59(92)71(107)85-54(26-29-64(99)100)68(104)84-53(67(79)103)25-28-63(97)98)82-72(108)66(42(2)93)87-70(106)57-13-10-34-90(57)74(110)55(27-30-65(101)102)86-69(105)56-12-9-33-89(56)62(96)14-5-7-31-80-77(116)83-44-17-22-49-52(35-44)78(114-76(49)112)50-23-20-46(94)36-60(50)113-61-37-47(95)21-24-51(61)78/h15-24,35-37,39,41-42,48,53-59,66,93-95H,5-14,25-34,38,40H2,1-4H3,(H2,79,103)(H,82,108)(H,84,104)(H,85,107)(H,86,105)(H,87,106)(H,97,98)(H,99,100)(H,101,102)(H2,80,83,116)/b81-39-/t41-,42+,48-,53-,54-,55-,56-,57-,58?,59-,66-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230453
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES CCCCC\C=N/O[C@H]1C[C@H](N(C1)C(=O)C1CCCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C75H97N13O23S/c1-4-5-6-9-31-78-111-45-38-56(68(103)82-51(25-28-61(95)96)65(100)81-50(64(76)99)24-27-60(93)94)88(39-45)72(107)55-14-8-11-32-87(55)70(105)40(2)79-69(104)63(41(3)89)84-67(102)54-16-13-34-86(54)71(106)52(26-29-62(97)98)83-66(101)53-15-12-33-85(53)59(92)17-7-10-30-77-74(112)80-42-18-21-46-49(35-42)75(110-73(46)108)47-22-19-43(90)36-57(47)109-58-37-44(91)20-23-48(58)75/h18-23,31,35-37,40-41,45,50-56,63,89-91H,4-17,24-30,32-34,38-39H2,1-3H3,(H2,76,99)(H,79,104)(H,81,100)(H,82,103)(H,83,101)(H,84,102)(H,93,94)(H,95,96)(H,97,98)(H2,77,80,112)/b78-31-/t40-,41+,45-,50-,51-,52-,53-,54-,55?,56-,63-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230476
PNG
((4S)-4-{[(2S,4R)-4-(aminooxy)-1-({1-[(2S)-2-[(2S,3...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)ON
Show InChI InChI=1S/C69H87N13O23S/c1-34(64(99)81-26-6-4-9-49(81)66(101)82-33-39(105-71)32-50(82)62(97)76-45(20-23-55(89)90)59(94)75-44(58(70)93)19-22-54(87)88)73-63(98)57(35(2)83)78-61(96)48-11-8-28-80(48)65(100)46(21-24-56(91)92)77-60(95)47-10-7-27-79(47)53(86)12-3-5-25-72-68(106)74-36-13-16-40-43(29-36)69(104-67(40)102)41-17-14-37(84)30-51(41)103-52-31-38(85)15-18-42(52)69/h13-18,29-31,34-35,39,44-50,57,83-85H,3-12,19-28,32-33,71H2,1-2H3,(H2,70,93)(H,73,98)(H,75,94)(H,76,97)(H,77,95)(H,78,96)(H,87,88)(H,89,90)(H,91,92)(H2,72,74,106)/t34-,35+,39+,44-,45-,46-,47-,48-,49?,50-,57-/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230480
PNG
((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccoc1
Show InChI InChI=1S/C74H89N13O24S/c1-38(69(104)86-27-6-4-9-54(86)71(106)87-36-44(111-77-35-40-25-30-108-37-40)34-55(87)67(102)81-50(20-23-60(94)95)64(99)80-49(63(75)98)19-22-59(92)93)78-68(103)62(39(2)88)83-66(101)53-11-8-29-85(53)70(105)51(21-24-61(96)97)82-65(100)52-10-7-28-84(52)58(91)12-3-5-26-76-73(112)79-41-13-16-45-48(31-41)74(110-72(45)107)46-17-14-42(89)32-56(46)109-57-33-43(90)15-18-47(57)74/h13-18,25,30-33,35,37-39,44,49-55,62,88-90H,3-12,19-24,26-29,34,36H2,1-2H3,(H2,75,98)(H,78,103)(H,80,99)(H,81,102)(H,82,100)(H,83,101)(H,92,93)(H,94,95)(H,96,97)(H2,76,79,112)/b77-35-/t38-,39+,44-,49-,50-,51-,52-,53-,54?,55-,62-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens)
BDBM50230484
PNG
((4S)-4-{[(2S,4S)-4-{[(Z)-{[4-(benzyloxy)phenyl]met...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C83H97N13O24S/c1-45(78(113)95-35-9-7-14-63(95)80(115)96-43-53(120-86-42-47-18-23-52(24-19-47)117-44-48-12-4-3-5-13-48)41-64(96)76(111)90-59(29-32-69(103)104)73(108)89-58(72(84)107)28-31-68(101)102)87-77(112)71(46(2)97)92-75(110)62-16-11-37-94(62)79(114)60(30-33-70(105)106)91-74(109)61-15-10-36-93(61)67(100)17-6-8-34-85-82(121)88-49-20-25-54-57(38-49)83(119-81(54)116)55-26-21-50(98)39-65(55)118-66-40-51(99)22-27-56(66)83/h3-5,12-13,18-27,38-40,42,45-46,53,58-64,71,97-99H,6-11,14-17,28-37,41,43-44H2,1-2H3,(H2,84,107)(H,87,112)(H,89,108)(H,90,111)(H,91,109)(H,92,110)(H,101,102)(H,103,104)(H,105,106)(H2,85,88,121)/b86-42-/t45-,46+,53-,58-,59-,60-,61-,62-,63?,64-,71-/m0/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity to Tsg101


Citation and Details
More data for this
Ligand-Target Pair
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