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BDBM50538735 CHEMBL2371802

SMILES: [H][C@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCC(=O)C(F)(F)C(F)(F)F)NC2=O)[C@@H](C)CC

InChI Key: InChIKey=IUIMYSRITOISQV-GXCCDKSUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538735   
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
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50538735
PNG
(CHEMBL2371802)
Show SMILES [H][C@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCC(=O)C(F)(F)C(F)(F)F)NC2=O)[C@@H](C)CC
Show InChI InChI=1S/C31H41F5N4O6/c1-4-18(2)25-29(45)40-16-8-10-23(40)28(44)37-21(9-6-5-7-11-24(41)30(32,33)31(34,35)36)26(42)38-22(27(43)39-25)17-19-12-14-20(46-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)/t18-,21-,22+,23+,25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 780n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin)

Eur J Med Chem 164: 214-240 (2019)

More data for this
Ligand-Target Pair