BDBM476576 US10869929, Compound 9

SMILES: C[C@@H]1C[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@]2(C)[C@@]1(O)C(=O)SCCOCCOCCP(O)(O)=O

InChI Key: InChIKey=JSNLQEVTILZGHC-LXFQVNARSA-N

Data: 1 IC50

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 = 476576   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
TSC22 domain family protein 3 (Human)	BDBM476576 (US10869929, Compound 9) Show SMILES C[C@@H]1C[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@]2(C)[C@@]1(O)C(=O)SCCOCCOCCP(O)(O)=O |r,c:12,t:8| Show InChI InChI=1S/C27H39F2O9PS/c1-16-12-18-19-14-21(28)20-13-17(30)4-5-24(20,2)26(19,29)22(31)15-25(18,3)27(16,33)23(32)40-11-9-38-7-6-37-8-10-39(34,35)36/h4-5,13,16,18-19,21-22,31,33H,6-12,14-15H2,1-3H3,(H2,34,35,36)/t16-,18+,19+,21+,22+,24+,25+,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.67	n/a	n/a	n/a	n/a	n/a	n/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)
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