BindingDB logo
myBDB logout

BDBM50213227 (S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-3-(4-((2H-tetrazol-5-yl)methyl)phenyl)-2-acetamidopropanamido)-4-methylpentanoyl)pyrrolidine-2-carboxamido)-5-amino-5-oxopentanamido)-3-hydroxybutanamido)-3-methylbutanoic acid::CHEMBL233355

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=VSAFYQYZXQWCSQ-NKXNACQRSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213227   
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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50213227
PNG
((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-3-(4-((...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C38H57N11O10/c1-19(2)16-27(42-34(54)26(40-22(6)51)17-23-9-11-24(12-10-23)18-30-45-47-48-46-30)37(57)49-15-7-8-28(49)35(55)41-25(13-14-29(39)52)33(53)44-32(21(5)50)36(56)43-31(20(3)4)38(58)59/h9-12,19-21,25-28,31-32,50H,7-8,13-18H2,1-6H3,(H2,39,52)(H,40,51)(H,41,55)(H,42,54)(H,43,56)(H,44,53)(H,58,59)(H,45,46,47,48)/t21-,25+,26+,27+,28+,31+,32+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Université Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimer DNA binding activity by ELISA after 30 mins


Bioorg Med Chem Lett 17: 3943-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.107
BindingDB Entry DOI: 10.7270/Q2736QMV
More data for this
Ligand-Target Pair