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BDBM36362 CID1620213::Pladienolide analog 10

SMILES: [H][C@@]12CS[C@H](CCCCC(=O)N(C)CCN(C)C(=O)[C@H](CCCCNC(=O)O[C@H]3\C=C\[C@H](C)[C@H](OC(=O)C[C@H](O)CC[C@@]3(C)O)C(\C)=C\C=C\[C@@H](C)C[C@H]3O[C@@H]3[C@H](C)[C@@H](O)CC)NC(=O)c3ccc(cc3)C3(N=N3)C(F)(F)F)[C@]1([H])NC(=O)N2

InChI Key: InChIKey=NTCKGMJCDAGYMI-HXSXBPABSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36362   
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
SF3B3


(Homo sapiens (Human))
BDBM36362
PNG
(CID1620213 | Pladienolide analog 10)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCCC[C@H](NC(=O)c2ccc(cc2)C2(N=N2)C(F)(F)F)C(=O)N(C)CCN(C)C(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]23)\C=C\[C@@H]1C
Show InChI InChI=1S/C58H85F3N8O12S/c1-9-43(71)37(5)51-44(79-51)31-34(2)15-14-16-35(3)50-36(4)20-25-46(56(6,78)27-26-40(70)32-48(73)81-50)80-55(77)62-28-13-12-17-41(63-52(74)38-21-23-39(24-22-38)57(66-67-57)58(59,60)61)53(75)69(8)30-29-68(7)47(72)19-11-10-18-45-49-42(33-82-45)64-54(76)65-49/h14-16,20-25,34,36-37,40-46,49-51,70-71,78H,9-13,17-19,26-33H2,1-8H3,(H,62,77)(H,63,74)(H2,64,65,76)/b15-14+,25-20+,35-16+/t34-,36+,37-,40-,41+,42-,43+,44-,45-,46+,49-,50-,51-,56-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 595n/an/a7.84



Eisai Co., Ltd



Assay Description
Cell proliferation assay using WiDr


Nat Chem Biol 3: 570-5 (2007)


Article DOI: 10.1038/nchembio.2007.16
BindingDB Entry DOI: 10.7270/Q2F47MHV
More data for this
Ligand-Target Pair