BDBM50158204 Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--hydroxy-2,4a,11b-trimethyl-1-[2-(2-trifluoromethyl-phenyl)-thyl]-1,2,3,4,4a,4b,5,6,9,11a,11b,12,13,13a-tetradecahydro--oxa-cyclohepta[a]phenanthren-6a-yl}-ethyl ester::CHEMBL178867

SMILES: C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCc4ccccc4C(F)(F)F)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O

InChI Key: InChIKey=VSGWWTHWDGKLMF-SSIUDZLZSA-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 = 50158204   

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))	BDBM50158204 (Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...) Show SMILES C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCc4ccccc4C(F)(F)F)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O |c:10,35| Show InChI InChI=1S/C40H51F3O10/c1-22-20-32(51-25(4)45)37(8)31(39(22,48)18-15-28-12-9-10-13-29(28)40(41,42)43)16-17-36(7)30-14-11-19-49-21-38(30,23(2)50-24(3)44)35(53-27(6)47)33(34(36)37)52-26(5)46/h9-14,20,23,30-35,48H,15-19,21H2,1-8H3/t23-,30?,31?,32-,33+,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	87	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))	BDBM50158204 (Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...) Show SMILES C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCc4ccccc4C(F)(F)F)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O |c:10,35| Show InChI InChI=1S/C40H51F3O10/c1-22-20-32(51-25(4)45)37(8)31(39(22,48)18-15-28-12-9-10-13-29(28)40(41,42)43)16-17-36(7)30-14-11-19-49-21-38(30,23(2)50-24(3)44)35(53-27(6)47)33(34(36)37)52-26(5)46/h9-14,20,23,30-35,48H,15-19,21H2,1-8H3/t23-,30?,31?,32-,33+,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	1.84E+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