BDBM50064437 2-[3-(3,15-Dimethoxy-7,9,11,13-tetramethyl-10,16-dioxo-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)-2-hydroxy-1-methyl-butyl]-2-hydroxy-6-isopropyl-5-methyl-tetrahydro-pyran-4-carboxylic acid phenyl ester::CHEMBL57086

SMILES: CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1

InChI Key: InChIKey=RFXMOIFJLBWXSU-SXDGAXRHSA-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 = 50064437   

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
Vacuolar ATP synthase subunit S1 (Homo sapiens (Human))	BDBM50064437 (2-[3-(3,15-Dimethoxy-7,9,11,13-tetramethyl-10,16-d...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1 |c:5,15,18,t:3| Show InChI InChI=1S/C42H60O10/c1-24(2)38-29(7)33(40(45)50-32-17-13-12-14-18-32)23-42(47,52-38)31(9)37(44)30(8)39-34(48-10)19-15-16-25(3)20-27(5)36(43)28(6)21-26(4)22-35(49-11)41(46)51-39/h12-19,21-22,24,27-31,33-34,37-39,44,47H,20,23H2,1-11H3/b19-15+,25-16+,26-21+,35-22-/t27-,28+,29-,30-,31-,33+,34-,37+,38+,39+,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from chicken osteoclasts (cOc)				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
Vacuolar ATP synthase subunit S1 (Homo sapiens (Human))	BDBM50064437 (2-[3-(3,15-Dimethoxy-7,9,11,13-tetramethyl-10,16-d...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1 |c:5,15,18,t:3| Show InChI InChI=1S/C42H60O10/c1-24(2)38-29(7)33(40(45)50-32-17-13-12-14-18-32)23-42(47,52-38)31(9)37(44)30(8)39-34(48-10)19-15-16-25(3)20-27(5)36(43)28(6)21-26(4)22-35(49-11)41(46)51-39/h12-19,21-22,24,27-31,33-34,37-39,44,47H,20,23H2,1-11H3/b19-15+,25-16+,26-21+,35-22-/t27-,28+,29-,30-,31-,33+,34-,37+,38+,39+,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from bovine chromaffin granules (bCG)				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair