BDBM50158220 Aceticacid(R)-1-[(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--hydroxy-2,4a,11b-trimethyl-1-(2-o-tolyl-ethyl)-1,2,3,4,4a,4b5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl]-ethyl ester::CHEMBL359497

SMILES: C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCc4ccccc4C)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=GELLMCWJVVRQSQ-CMZXHQBKSA-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 = 50158220   

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))	BDBM50158220 (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)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O |c:10,32| Show InChI InChI=1S/C40H54O10/c1-23-13-10-11-14-30(23)16-19-40(45)24(2)21-33(48-27(5)42)38(9)32(40)17-18-37(8)31-15-12-20-46-22-39(31,25(3)47-26(4)41)36(50-29(7)44)34(35(37)38)49-28(6)43/h10-15,21,25,31-36,45H,16-20,22H2,1-9H3/t25-,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	41	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
Voltage-gated potassium channel (Homo sapiens (Human))	BDBM50158220 (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)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O |c:10,32| Show InChI InChI=1S/C40H54O10/c1-23-13-10-11-14-30(23)16-19-40(45)24(2)21-33(48-27(5)42)38(9)32(40)17-18-37(8)31-15-12-20-46-22-39(31,25(3)47-26(4)41)36(50-29(7)44)34(35(37)38)49-28(6)43/h10-15,21,25,31-36,45H,16-20,22H2,1-9H3/t25-,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	194	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