BDBM50158197 Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--hydroxy-1-[2-(3-methoxy-phenyl)-ethyl]-2,4a,11b-trimethyl-,2,3,4,4a,4b,5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl}-ethyl ester::CHEMBL367603

SMILES: COc1cccc(CCC2(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=C2C)c1

InChI Key: InChIKey=QIMSYTQOSRVYJQ-BQXCMVMISA-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 = 50158197   

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))	BDBM50158197 (Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...) Show SMILES COc1cccc(CCC2(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=C2C)c1 |c:17,50| Show InChI InChI=1S/C40H54O11/c1-23-20-33(49-26(4)42)38(8)32(40(23,45)18-15-29-12-10-13-30(21-29)46-9)16-17-37(7)31-14-11-19-47-22-39(31,24(2)48-25(3)41)36(51-28(6)44)34(35(37)38)50-27(5)43/h10-14,20-21,24,31-36,45H,15-19,22H2,1-9H3/t24-,31?,32?,33-,34+,35?,36+,37+,38-,39-,40?/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	1.31E+3	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
Potassium voltage-gated channel subfamily A member 3 (Homo sapiens (Human))	BDBM50158197 (Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...) Show SMILES COc1cccc(CCC2(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=C2C)c1 |c:17,50| Show InChI InChI=1S/C40H54O11/c1-23-20-33(49-26(4)42)38(8)32(40(23,45)18-15-29-12-10-13-30(21-29)46-9)16-17-37(7)31-14-11-19-47-22-39(31,24(2)48-25(3)41)36(51-28(6)44)34(35(37)38)50-27(5)43/h10-14,20-21,24,31-36,45H,15-19,22H2,1-9H3/t24-,31?,32?,33-,34+,35?,36+,37+,38-,39-,40?/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	24	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