BDBM96520 Chikusetusaponin-IVa::MLS002473055::SMR001397159::cid_44202887

SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O[C@@H]4OC([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(C)(C)C3CC[C@@]12C)C(=O)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=YOSRLTNUOCHBEA-BWPXVZRISA-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 = 96520   

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
Homo sapiens huntingtin (HTT), mRNA (Homo sapiens (Human))	BDBM96520 (Chikusetusaponin-IVa | MLS002473055 | SMR001397159...) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O[C@@H]4OC([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(C)(C)C3CC[C@@]12C)C(=O)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)[C@H]1O |t:15| Show InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22?,23?,24?,25-,26+,27-,28-,29-,30+,31+,32?,34-,35+,39-,40+,41+,42-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2N58K09
					More data for this Ligand-Target Pair