BDBM50208090 (1S,8S,11S,13S,16S,17R)-8-tert-butyl-17-hydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,6,15,18-tetrone::CHEMBL376302

SMILES: C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)C3=O)O[C@]4(C(=O)O5)[C@@]12O

InChI Key: InChIKey=RHHKORAMUFJXGE-FHOKLSSGSA-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 = 50208090   

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-1 (Homo sapiens (Human))	BDBM50208090 ((1S,8S,11S,13S,16S,17R)-8-tert-butyl-17-hydroxy-16...) Show SMILES C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)C3=O)O[C@]4(C(=O)O5)[C@@]12O Show InChI InChI=1S/C20H22O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-10,15,25H,5-6H2,1-4H3/t7-,8+,9?,10+,15?,17-,18?,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50208090 ((1S,8S,11S,13S,16S,17R)-8-tert-butyl-17-hydroxy-16...) Show SMILES C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)C3=O)O[C@]4(C(=O)O5)[C@@]12O Show InChI InChI=1S/C20H22O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-10,15,25H,5-6H2,1-4H3/t7-,8+,9?,10+,15?,17-,18?,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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-2 (Homo sapiens (Human))	BDBM50208090 ((1S,8S,11S,13S,16S,17R)-8-tert-butyl-17-hydroxy-16...) Show SMILES C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)C3=O)O[C@]4(C(=O)O5)[C@@]12O Show InChI InChI=1S/C20H22O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-10,15,25H,5-6H2,1-4H3/t7-,8+,9?,10+,15?,17-,18?,19-,20+/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	>1.00E+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