Found 7 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
Tumor susceptibility gene 101 protein
(Homo sapiens (Human)) | BDBM50362892
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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... |
ACS Med Chem Lett 2: 337-341 (2011)
Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4 |
More data for this
Ligand-Target Pair | |
Tumor susceptibility gene 101 protein
(Homo sapiens (Human)) | BDBM50362891
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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... |
ACS Med Chem Lett 2: 337-341 (2011)
Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4 |
More data for this
Ligand-Target Pair | |
Tumor susceptibility gene 101 protein
(Homo sapiens (Human)) | BDBM50362890
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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... |
ACS Med Chem Lett 2: 337-341 (2011)
Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4 |
More data for this
Ligand-Target Pair | |
Tumor susceptibility gene 101 protein
(Homo sapiens (Human)) | BDBM50362889
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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... |
ACS Med Chem Lett 2: 337-341 (2011)
Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4 |
More data for this
Ligand-Target Pair | |
Tumor susceptibility gene 101 protein
(Homo sapiens (Human)) | BDBM50362891
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick
Curated by ChEMBL
| Assay Description
Inhibition of human Tsg101 binding to GST-tagged P6 protein by surface plasmon resonance method |
ACS Med Chem Lett 2: 337-341 (2011)
Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4 |
More data for this
Ligand-Target Pair | |
Tumor susceptibility gene 101 protein
(Homo sapiens (Human)) | BDBM50362889
(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 |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick
Curated by ChEMBL
| Assay Description
Inhibition of human Tsg101 binding to GST-tagged P6 protein by surface plasmon resonance method |
ACS Med Chem Lett 2: 337-341 (2011)
Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4 |
More data for this
Ligand-Target Pair | |
Tumor susceptibility gene 101 protein
(Homo sapiens (Human)) | BDBM50312315
(CHEMBL1075925 | PEPTAPPEE)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1)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(O)=O |r| Show InChI InChI=1S/C42H63N9O17/c1-21(44-38(63)33(22(2)52)48-37(62)28-9-4-18-49(28)40(65)25(12-15-31(55)56)46-34(59)23-7-3-17-43-23)39(64)51-20-6-10-29(51)41(66)50-19-5-8-27(50)36(61)45-24(11-14-30(53)54)35(60)47-26(42(67)68)13-16-32(57)58/h21-29,33,43,52H,3-20H2,1-2H3,(H,44,63)(H,45,61)(H,46,59)(H,47,60)(H,48,62)(H,53,54)(H,55,56)(H,57,58)(H,67,68)/t21-,22+,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| MMDB
Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick
Curated by ChEMBL
| Assay Description
Binding affinity to Tsg101 |
ACS Med Chem Lett 2: 337-341 (2011)
Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4 |
More data for this
Ligand-Target Pair | |
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