BDBM50414651 ECDYSONE

SMILES: C[C@H]([C@@H](O)CCC(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C

InChI Key: InChIKey=UPEZCKBFRMILAV-FERUFTJZSA-N

Data: 2 KI  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 5 hits for monomerid = 50414651   

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
Ultraspiracle (Nezara viridula)	BDBM50414651 (ECDYSONE) Show SMILES C[C@H]([C@@H](O)CCC(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C |r,t:15,@@:6| Show InChI InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16-,17+,19-,20-,22-,23-,25-,26-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences Curated by ChEMBL					Assay Description Displacement of [3H]PonA from recombinant Nezara viridula EcR10				Pest Manag Sci 67: 1457-67 (2011) Article DOI: 10.1002/ps.2200 BindingDB Entry DOI: 10.7270/Q2B27Z6B
					More data for this Ligand-Target Pair
Ultraspiracle (Nezara viridula)	BDBM50414651 (ECDYSONE) Show SMILES C[C@H]([C@@H](O)CCC(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C |r,t:15,@@:6| Show InChI InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16-,17+,19-,20-,22-,23-,25-,26-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences Curated by ChEMBL					Assay Description Displacement of [3H]PonA from recombinant Nezara viridula EcR11				Pest Manag Sci 67: 1457-67 (2011) Article DOI: 10.1002/ps.2200 BindingDB Entry DOI: 10.7270/Q2B27Z6B
					More data for this Ligand-Target Pair
Ultraspiracle (Nezara viridula)	BDBM50414651 (ECDYSONE) Show SMILES C[C@H]([C@@H](O)CCC(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C |r,t:15,@@:6| Show InChI InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16-,17+,19-,20-,22-,23-,25-,26-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences Curated by ChEMBL					Assay Description Displacement of [3H]PonA from recombinant Nezara viridula EcR10				Pest Manag Sci 67: 1457-67 (2011) Article DOI: 10.1002/ps.2200 BindingDB Entry DOI: 10.7270/Q2B27Z6B
					More data for this Ligand-Target Pair
Ultraspiracle (Nezara viridula)	BDBM50414651 (ECDYSONE) Show SMILES C[C@H]([C@@H](O)CCC(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C |r,t:15,@@:6| Show InChI InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16-,17+,19-,20-,22-,23-,25-,26-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences Curated by ChEMBL					Assay Description Displacement of [3H]PonA from recombinant Nezara viridula EcR11				Pest Manag Sci 67: 1457-67 (2011) Article DOI: 10.1002/ps.2200 BindingDB Entry DOI: 10.7270/Q2B27Z6B
					More data for this Ligand-Target Pair
Ecdysone receptor (Drosophila melanogaster)	BDBM50414651 (ECDYSONE) Show SMILES C[C@H]([C@@H](O)CCC(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C |r,t:15,@@:6| Show InChI InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16-,17+,19-,20-,22-,23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed				Bioorg Med Chem 17: 5868-73 (2009) Article DOI: 10.1016/j.bmc.2009.07.011 BindingDB Entry DOI: 10.7270/Q2H70H2S
					More data for this Ligand-Target Pair