BDBM50208070 (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione::CHEMBL375821

SMILES: C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@@H]5O)C(C)(C)C)[C@@]12O

InChI Key: InChIKey=AMOGMTLMADGEOQ-CISXDJMXSA-N

Data: 3 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 3 hits for monomerid = 50208070   

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
Glycine receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50208070 ((1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@@H]5O)C(C)(C)C)[C@@]12O Show InChI InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6+,7+,8+,9+,10?,11+,15?,17?,18-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Activity at human alpha2GlyR expressed in HEK293 cells by FMP assay				J Med Chem 50: 1610-7 (2007) Article DOI: 10.1021/jm070003n BindingDB Entry DOI: 10.7270/Q2GB23QT
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50208070 ((1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@@H]5O)C(C)(C)C)[C@@]12O Show InChI InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6+,7+,8+,9+,10?,11+,15?,17?,18-,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Activity at human alpha1betaGlyR expressed in HEK293 cells by FMP assay				J Med Chem 50: 1610-7 (2007) Article DOI: 10.1021/jm070003n BindingDB Entry DOI: 10.7270/Q2GB23QT
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50208070 ((1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@@H]5O)C(C)(C)C)[C@@]12O Show InChI InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6+,7+,8+,9+,10?,11+,15?,17?,18-,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Activity at human alpha1GlyR expressed in HEK293 cells by FMP assay				J Med Chem 50: 1610-7 (2007) Article DOI: 10.1021/jm070003n BindingDB Entry DOI: 10.7270/Q2GB23QT
					More data for this Ligand-Target Pair