BindingDB PrimarySearch

BDBM50178323 (3S,10R,13S,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol::CHEMBL77135

SMILES: C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O

InChI Key: InChIKey=QADHLRWLCPCEKT-QJIZPQHZSA-N

Data: 3 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50178323
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
Estrogen receptor (Homo sapiens (Human))	BDBM50178323 ((3S,10R,13S,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50178323 ((3S,10R,13S,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50178323 ((3S,10R,13S,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50178323 ((3S,10R,13S,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50178323 ((3S,10R,13S,17S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against AR				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair