Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TSC22 domain family protein 3' and Ligand = 'BDBM476591'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
TSC22 domain family protein 3 (Human)	BDBM476591 (US10869929, Compound 30 | US11554172, Compound 30) Show SMILES CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)cnn6-c1ccc(OCCCCP(O)(O)=O)cc1 |r,t:11| Show InChI InChI=1S/C36H49N2O9P/c1-4-7-32-46-31-17-27-26-13-8-23-16-28-22(18-34(23,2)33(26)29(40)19-35(27,3)36(31,47-32)30(41)21-39)20-37-38(28)24-9-11-25(12-10-24)45-14-5-6-15-48(42,43)44/h9-12,16,20,26-27,29,31-33,39-40H,4-8,13-15,17-19,21H2,1-3H3,(H2,42,43,44)/t26-,27-,29-,31+,32?,33+,34-,35-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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) BindingDB Entry DOI: 10.7270/Q2N58QG7
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