BDBM50161268 CHEMBL366906::Uscharin derivative

SMILES: C[C@@H]1C[C@]2(SCC(N)=N2)C2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO[Si](C)(C)C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1

InChI Key: InChIKey=PEKNBERLJCCVET-FWAKGOJHSA-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 = 50161268   

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
Sodium/potassium-transporting ATPase alpha-1 chain (Sus scrofa)	BDBM50161268 (CHEMBL366906 | Uscharin derivative) Show SMILES C[C@@H]1C[C@]2(SCC(N)=N2)C2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO[Si](C)(C)C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:44| Show InChI InChI=1S/C38H62N2O8SSi2/c1-23-17-37(40-31(39)20-49-37)38(48-51(6,7)8)33(45-23)46-29-16-25-9-10-28-27(35(25,18-30(29)47-38)22-44-50(3,4)5)11-13-34(2)26(12-14-36(28,34)21-41)24-15-32(42)43-19-24/h15,23,25-30,33,41H,9-14,16-22H2,1-8H3,(H2,39,40)/t23-,25+,26-,27+,28-,29-,30-,33+,34-,35-,36+,37+,38?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Unibioscreen SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against porcine Na+/K+-ATPase				J Med Chem 48: 849-56 (2005) Article DOI: 10.1021/jm049405a BindingDB Entry DOI: 10.7270/Q23R0SD1
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