BDBM50223230 (3R,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol::CHEMBL251515

SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O

InChI Key: InChIKey=ZHJRJDWXSJEGFJ-YUDLKVPISA-N

Data: 3 IC50  2 EC50

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 = 50223230   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50223230 ((3R,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)21/h4-5,15-18,22-23H,1,6-13H2,2-3H3/t15-,16-,17-,18-,19+,20-,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at ERalpha expressed in HEK293 cells by transactivation assay				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50223230 ((3R,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)21/h4-5,15-18,22-23H,1,6-13H2,2-3H3/t15-,16-,17-,18-,19+,20-,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50223230 ((3R,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)21/h4-5,15-18,22-23H,1,6-13H2,2-3H3/t15-,16-,17-,18-,19+,20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at AR				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50223230 ((3R,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)21/h4-5,15-18,22-23H,1,6-13H2,2-3H3/t15-,16-,17-,18-,19+,20-,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50223230 ((3R,8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C21H32O2/c1-4-21-12-11-19(2,23)13-14(21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)21/h4-5,15-18,22-23H,1,6-13H2,2-3H3/t15-,16-,17-,18-,19+,20-,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in HEK293 cells by transactivation assay				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
					More data for this Ligand-Target Pair