BindingDB PrimarySearch

BDBM21725 (1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,13-dione::Guggulsterone

SMILES: [H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

InChI Key: InChIKey=WDXRGPWQVHZTQJ-NRJJLHBYSA-N

Data: 5 KI 9 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 21725
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Mineralocorticoid receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Progesterone receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Glucorticoid receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	315	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Androgen receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Farnesoid X receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Glucorticoid receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Progesterone receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity against FXR assessed as transactivation of luciferase reporter gene in CV1 cells				Bioorg Med Chem Lett 16: 5398-402 (2006) Article DOI: 10.1016/j.bmcl.2006.07.079 BindingDB Entry DOI: 10.7270/Q2H41S84
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at GST-tagged FXRalpha LBD (unknown origin) assessed as inhibition of CDCA-induced bio-SRC-1 recruitment after 30 mins by fluores...				Bioorg Med Chem 22: 1596-607 (2014) Article DOI: 10.1016/j.bmc.2014.01.032 BindingDB Entry DOI: 10.7270/Q29Z96CW
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Pregnane X receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Farnesoid X receptor; range from 50-100000				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Androgen receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope National Medical Center Curated by ChEMBL					Assay Description Antagonist activity at FXR (unknown origin) by coactivator assay				Bioorg Med Chem 21: 4266-78 (2013) Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z
City of Hope National Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	7.2	37
University of Tokyo					Assay Description Compounds were screened for agonist/antagonist activity on FXR-GAL4 chimeric receptors in transiently transfected HEK-293 cells. The EC50/IC50 values...				Bioorg Med Chem 15: 2587-600 (2007) Article DOI: 10.1016/j.bmc.2007.01.046 BindingDB Entry DOI: 10.7270/Q21R6NSZ
University of Tokyo					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM21725 ((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibitory concentration against Mineralocorticoid receptor				J Med Chem 48: 6948-55 (2005) Article DOI: 10.1021/jm0505056 BindingDB Entry DOI: 10.7270/Q20V8DKV
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair