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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

InChI Key: InChIKey=KIDUVCRUGZBIDB-ZZNPRISUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362891   
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
Tumor susceptibility gene 101 protein


(Homo sapiens (Human))
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 |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+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...


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
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 |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/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


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