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SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](F)[C@@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCCC(C)(C)O

InChI Key: InChIKey=UMSZQYXOBMKPGY-VMDSBUDQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459237   
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
Alpha-crystallin B chain


(Homo sapiens)		BDBM50459237
PNG
(CHEMBL4209249)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](F)[C@@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCCC(C)(C)O |r,c:6|
Show InChI InChI=1S/C30H51FO2/c1-19(10-9-15-26(2,3)33)20-13-16-30(8)22-11-12-24-27(4,5)25(32)23(31)18-28(24,6)21(22)14-17-29(20,30)7/h19-20,23-25,32-33H,9-18H2,1-8H3/t19-,20-,23-,24+,25-,28-,29-,30+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of alpha-crystallin B R120G mutant (unknown origin)-induced intracellular protein aggregation expressed in human HeLa cells or HLE-B3 cell...

J Med Chem 61: 8693-8706 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00705
BindingDB Entry DOI: 10.7270/Q2JQ13NZ
More data for this
Ligand-Target Pair