BDBM50211107 (1R,2S,5S,6S,9S,10R,14R,15R)-5-methylpentacyclo[12.3.2.0^{1,13}.0^{2,10}.0^{5,9}]nonadec-12-ene-6,15-diol::CHEMBL245575

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

InChI Key: InChIKey=UVRSJXSWWHQAGL-QZTVOOIMSA-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 = 50211107   

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))	BDBM50211107 ((1R,2S,5S,6S,9S,10R,14R,15R)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	8.14E+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 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
Androgen Receptor (Homo sapiens (Human))	BDBM50211107 ((1R,2S,5S,6S,9S,10R,14R,15R)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	1.12E+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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50211107 ((1R,2S,5S,6S,9S,10R,14R,15R)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	854	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50211107 ((1R,2S,5S,6S,9S,10R,14R,15R)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	198	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))	BDBM50211107 ((1R,2S,5S,6S,9S,10R,14R,15R)-5-methylpentacyclo[12...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16-18,21-22H,2,4-11H2,1H3/t12-,13+,14-,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	435	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