BDBM50064438 (2R,4R,5S,6R)-2-[(1S,2R,3S)-2-Hydroxy-3-((2R,9S,10S)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-oxacyclohexadec-2-yl)-1-methyl-butyl]-6-isopropyl-2-methoxy-5-methyl-tetrahydro-pyran-4-carboxylic acid phenyl ester::CHEMBL56614

SMILES: COC1CCCC(C)C[C@H](C)[C@H](O)C(C)CC(C)CC(OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@]1(C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1)OC

InChI Key: InChIKey=AEVFOOWYAKOVOR-YEWMLHHJSA-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 = 50064438   

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))	BDBM50064438 ((2R,4R,5S,6R)-2-[(1S,2R,3S)-2-Hydroxy-3-((2R,9S,10...) Show SMILES COC1CCCC(C)C[C@H](C)[C@H](O)C(C)CC(C)CC(OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@]1(C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1)OC Show InChI InChI=1S/C43H72O10/c1-25(2)39-30(7)34(41(46)51-33-18-14-13-15-19-33)24-43(50-12,53-39)32(9)38(45)31(8)40-35(48-10)20-16-17-26(3)21-28(5)37(44)29(6)22-27(4)23-36(49-11)42(47)52-40/h13-15,18-19,25-32,34-40,44-45H,16-17,20-24H2,1-12H3/t26?,27?,28-,29?,30-,31-,32-,34+,35?,36?,37-,38+,39+,40+,43+/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
Vacuolar ATP synthase subunit S1 (Homo sapiens (Human))	BDBM50064438 ((2R,4R,5S,6R)-2-[(1S,2R,3S)-2-Hydroxy-3-((2R,9S,10...) Show SMILES COC1CCCC(C)C[C@H](C)[C@H](O)C(C)CC(C)CC(OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@]1(C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1)OC Show InChI InChI=1S/C43H72O10/c1-25(2)39-30(7)34(41(46)51-33-18-14-13-15-19-33)24-43(50-12,53-39)32(9)38(45)31(8)40-35(48-10)20-16-17-26(3)21-28(5)37(44)29(6)22-27(4)23-36(49-11)42(47)52-40/h13-15,18-19,25-32,34-40,44-45H,16-17,20-24H2,1-12H3/t26?,27?,28-,29?,30-,31-,32-,34+,35?,36?,37-,38+,39+,40+,43+/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