BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12O[C@]1(COC(=O)CCC(O)=O)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H]

InChI Key: InChIKey=NETSGEFBXCCPQP-LKOKZEFKSA-N

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 = 50519066   
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
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50519066
PNG
(CHEMBL4460926)
Show SMILES [H][C@@]12O[C@]1(COC(=O)CCC(O)=O)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:45:61.62:42,THB:66:47:61.62:42,49:47:61.62:42,60:61:47.45.48:42,39:41:49.61.60:45|
Show InChI InChI=1S/C48H58O15/c1-26(2)44-23-31(24-57-41(53)29-16-10-7-11-17-29)47-36-39(44)61-48(62-44,63-47)32(49)20-14-6-5-9-15-27(3)35-28(4)38(59-42(54)30-18-12-8-13-19-30)46(56,37(35)47)43(55)45(40(36)60-45)25-58-34(52)22-21-33(50)51/h7-8,10-13,16-19,27-28,31-32,35-40,43,49,55-56H,1,5-6,9,14-15,20-25H2,2-4H3,(H,50,51)/t27-,28+,31+,32-,35+,36-,37-,38+,39-,40+,43-,44-,45+,46-,47-,48?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-3 assessed as inhibition of viral replication measured on day 3 post-...


J Med Chem 62: 6958-6971 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00339
More data for this
Ligand-Target Pair