BDBM50211108 (1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-methylpentacyclo[12.3.2.0^{1,13}.0^{2,10}.0^{5,9}]nonadec-12-en-15-one::CHEMBL245577

SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O

InChI Key: InChIKey=NOOXMSAWFFPGAB-WNGLNPKMSA-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 = 50211108   

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))	BDBM50211108 ((1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,16-,17-,18+,19-,20-/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	>1.00E+3	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
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211108 ((1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,16-,17-,18+,19-,20-/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))	BDBM50211108 ((1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,16-,17-,18+,19-,20-/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
Estrogen receptor (Homo sapiens (Human))	BDBM50211108 ((1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,16-,17-,18+,19-,20-/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
Estrogen receptor beta (Homo sapiens (Human))	BDBM50211108 ((1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-meth...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,16-,17-,18+,19-,20-/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 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