BDBM50226672 CHEMBL255034::makisterone A

SMILES: C[C@H](C[C@@H](O)[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)C(C)(C)O

InChI Key: InChIKey=IJRBORPEVKCEQD-JMQWOFAPSA-N

Data: 6 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 6 hits for monomerid = 50226672   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50226672 (CHEMBL255034 | makisterone A) Show SMILES C[C@H](C[C@@H](O)[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)C(C)(C)O |t:13| Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG 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
National Cheng Kung University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli assessed as inhibition of nifedipine oxidation				J Nat Prod 70: 1930-3 (2007) Article DOI: 10.1021/np0704248 BindingDB Entry DOI: 10.7270/Q2JH3KX1
					More data for this Ligand-Target Pair
Ecdysone receptor (Drosophila melanogaster)	BDBM50226672 (CHEMBL255034 | makisterone A) Show SMILES C[C@H](C[C@@H](O)[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)C(C)(C)O |t:13| Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	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
Protein ultraspiracle (Drosophila melanogaster)	BDBM50226672 (CHEMBL255034 | makisterone A) Show SMILES C[C@H](C[C@@H](O)[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)C(C)(C)O |t:13| Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	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 Binding affinity to Drosophila melanogaster EcR				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 (Leptinotarsa decemlineata)	BDBM50226672 (CHEMBL255034 | makisterone A) Show SMILES C[C@H](C[C@@H](O)[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)C(C)(C)O |t:13| Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+3	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 Binding affinity to Leptinotarsa decemlineata EcR				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 (Spodoptera frugiperda)	BDBM50226672 (CHEMBL255034 | makisterone A) Show SMILES C[C@H](C[C@@H](O)[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)C(C)(C)O |t:13| Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	389	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 Binding affinity to Spodoptera frugiperda (fall armyworm) EcR				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 (Nezara viridula)	BDBM50226672 (CHEMBL255034 | makisterone A) Show SMILES C[C@H](C[C@@H](O)[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)C(C)(C)O |t:13| Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	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 Binding affinity to Nezara viridula EcR				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