BDBM50211105 (3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol::CHEMBL392000

SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O

InChI Key: InChIKey=FFAZSAAUQAPBJT-NJRYMHDPSA-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 = 50211105   

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
Androgen Receptor (Homo sapiens (Human))	BDBM50211105 ((3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C23H34O2/c1-4-6-16-18-8-7-15-17-9-10-21(25)22(17,3)13-11-19(15)23(18,5-2)14-12-20(16)24/h4-5,8,15-17,19-21,24-25H,1-2,6-7,9-14H2,3H3/t15-,16+,17-,19-,20-,21-,22-,23-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50211105 ((3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C23H34O2/c1-4-6-16-18-8-7-15-17-9-10-21(25)22(17,3)13-11-19(15)23(18,5-2)14-12-20(16)24/h4-5,8,15-17,19-21,24-25H,1-2,6-7,9-14H2,3H3/t15-,16+,17-,19-,20-,21-,22-,23-/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 human recombinant ERbeta expressed in HEK293 cells by transactivation assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211105 ((3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C23H34O2/c1-4-6-16-18-8-7-15-17-9-10-21(25)22(17,3)13-11-19(15)23(18,5-2)14-12-20(16)24/h4-5,8,15-17,19-21,24-25H,1-2,6-7,9-14H2,3H3/t15-,16+,17-,19-,20-,21-,22-,23-/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 human recombinant ERalpha expressed in HEK293 cells by transactivation assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50211105 ((3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C23H34O2/c1-4-6-16-18-8-7-15-17-9-10-21(25)22(17,3)13-11-19(15)23(18,5-2)14-12-20(16)24/h4-5,8,15-17,19-21,24-25H,1-2,6-7,9-14H2,3H3/t15-,16+,17-,19-,20-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211105 ((3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C23H34O2/c1-4-6-16-18-8-7-15-17-9-10-21(25)22(17,3)13-11-19(15)23(18,5-2)14-12-20(16)24/h4-5,8,15-17,19-21,24-25H,1-2,6-7,9-14H2,3H3/t15-,16+,17-,19-,20-,21-,22-,23-/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 to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair