BDBM50158207 Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--[2-(2-ethoxy-phenyl)-ethyl]-1-hydroxy-2,4a,11b-trimethyl-1,,3,4,4a,4b,5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl}-ethyl ester::CHEMBL425865

SMILES: CCOc1ccccc1CCC1(O)C2CC[C@@]3(C)C4C=CCOC[C@]4([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3[C@@]2(C)[C@H](OC(C)=O)C=C1C

InChI Key: InChIKey=MZPQGOIXQXDYFW-QKKMZPQZSA-N

Data: 2 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 2 hits for monomerid = 50158207   

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
Potassium voltage-gated channel subfamily A member 3 (Homo sapiens (Human))	BDBM50158207 (Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...) Show SMILES CCOc1ccccc1CCC1(O)C2CC[C@@]3(C)C4C=CCOC[C@]4([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3[C@@]2(C)[C@H](OC(C)=O)C=C1C |c:20,53| Show InChI InChI=1S/C41H56O11/c1-10-48-31-15-12-11-14-30(31)17-20-41(46)24(2)22-34(50-27(5)43)39(9)33(41)18-19-38(8)32-16-13-21-47-23-40(32,25(3)49-26(4)42)37(52-29(7)45)35(36(38)39)51-28(6)44/h11-16,22,25,32-37,46H,10,17-21,23H2,1-9H3/t25-,32?,33?,34-,35+,36?,37+,38+,39-,40-,41?/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	34	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of voltage-gated potassium channel subunit Kv1.3 in chinese hamster ovary cells				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
Potassium voltage-gated channel subfamily A member 3 (Homo sapiens (Human))	BDBM50158207 (Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...) Show SMILES CCOc1ccccc1CCC1(O)C2CC[C@@]3(C)C4C=CCOC[C@]4([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3[C@@]2(C)[C@H](OC(C)=O)C=C1C |c:20,53| Show InChI InChI=1S/C41H56O11/c1-10-48-31-15-12-11-14-30(31)17-20-41(46)24(2)22-34(50-27(5)43)39(9)33(41)18-19-38(8)32-16-13-21-47-23-40(32,25(3)49-26(4)42)37(52-29(7)45)35(36(38)39)51-28(6)44/h11-16,22,25,32-37,46H,10,17-21,23H2,1-9H3/t25-,32?,33?,34-,35+,36?,37+,38+,39-,40-,41?/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	80	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 of human T cells				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