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SMILES: CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCCOCCOCCP(O)(O)=O

InChI Key: InChIKey=XKUDSVCPHSGCDL-PLVREPCMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476572   
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
TSC22 domain family protein 3


(Human)		BDBM476572
PNG
(US10869929, Compound 6)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCCOCCOCCP(O)(O)=O |r,c:18,t:14|
Show InChI InChI=1S/C30H43F2O10PS/c1-5-25(35)42-30(26(36)44-13-11-41-9-8-40-10-12-43(37,38)39)18(2)14-20-21-16-23(31)22-15-19(33)6-7-27(22,3)29(21,32)24(34)17-28(20,30)4/h6-7,15,18,20-21,23-24,34H,5,8-14,16-17H2,1-4H3,(H2,37,38,39)/t18-,20+,21+,23+,24+,27+,28+,29+,30+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.320n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
HUT78 cells were cultured in IMEM plus 20% heat inactivated FBS and cell density was maintained between 0.1 to 1.2 million/mL. 786-O cells were cultu...

US Patent US10869929 (2020)

More data for this
Ligand-Target Pair