BDBM50158230 CHEMBL362199::Correloid derivative

SMILES: COC(=O)C12O[C@@H]1C(=O)CC1(O)C3CC[C@@]4(C)C5C=CCOC[C@]5([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C4[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C

InChI Key: InChIKey=XWTVJVHOWQYDJX-VPNHBUIASA-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 = 50158230   

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
Voltage-gated potassium channel (Homo sapiens (Human))	BDBM50158230 (CHEMBL362199 | Correloid derivative) Show SMILES COC(=O)C12O[C@@H]1C(=O)CC1(O)C3CC[C@@]4(C)C5C=CCOC[C@]5([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C4[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C |c:19| Show InChI InChI=1S/C39H52O16/c1-18(50-19(2)40)37-17-49-15-11-12-25(37)34(7)14-13-26-35(8,28(34)27(51-20(3)41)30(37)52-21(4)42)31(53-22(5)43)32(54-23(6)44)36(9)38(26,47)16-24(45)29-39(36,55-29)33(46)48-10/h11-12,18,25-32,47H,13-17H2,1-10H3/t18-,25?,26?,27+,28?,29-,30+,31-,32+,34+,35+,36-,37-,38?,39?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against voltage-gated potassium channel subunit Kv1.3				Bioorg Med Chem Lett 15: 447-51 (2004) Article DOI: 10.1016/j.bmcl.2004.10.058 BindingDB Entry DOI: 10.7270/Q2BP0281
					More data for this Ligand-Target Pair