BDBM50211112 (1S,2S,5S,6S,9S,10R,19R)-6,19-dihydroxy-5-methylpentacyclo[10.5.2.0^{1,13}.0^{2,10}.0^{5,9}]nonadec-13-en-15-one::CHEMBL438863

SMILES: C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O

InChI Key: InChIKey=UUZZJVHPOGIHNG-JYGRZSPBSA-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 = 50211112   

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))	BDBM50211112 ((1S,2S,5S,6S,9S,10R,19R)-6,19-dihydroxy-5-methylpe...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8| Show InChI InChI=1S/C20H28O3/c1-19-6-5-15-12(14(19)2-3-18(19)23)9-13-16-8-11(21)4-7-20(15,16)10-17(13)22/h8,12-15,17-18,22-23H,2-7,9-10H2,1H3/t12-,13?,14-,15-,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
Androgen Receptor (Homo sapiens (Human))	BDBM50211112 ((1S,2S,5S,6S,9S,10R,19R)-6,19-dihydroxy-5-methylpe...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8| Show InChI InChI=1S/C20H28O3/c1-19-6-5-15-12(14(19)2-3-18(19)23)9-13-16-8-11(21)4-7-20(15,16)10-17(13)22/h8,12-15,17-18,22-23H,2-7,9-10H2,1H3/t12-,13?,14-,15-,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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50211112 ((1S,2S,5S,6S,9S,10R,19R)-6,19-dihydroxy-5-methylpe...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8| Show InChI InChI=1S/C20H28O3/c1-19-6-5-15-12(14(19)2-3-18(19)23)9-13-16-8-11(21)4-7-20(15,16)10-17(13)22/h8,12-15,17-18,22-23H,2-7,9-10H2,1H3/t12-,13?,14-,15-,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))	BDBM50211112 ((1S,2S,5S,6S,9S,10R,19R)-6,19-dihydroxy-5-methylpe...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8| Show InChI InChI=1S/C20H28O3/c1-19-6-5-15-12(14(19)2-3-18(19)23)9-13-16-8-11(21)4-7-20(15,16)10-17(13)22/h8,12-15,17-18,22-23H,2-7,9-10H2,1H3/t12-,13?,14-,15-,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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50211112 ((1S,2S,5S,6S,9S,10R,19R)-6,19-dihydroxy-5-methylpe...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8| Show InChI InChI=1S/C20H28O3/c1-19-6-5-15-12(14(19)2-3-18(19)23)9-13-16-8-11(21)4-7-20(15,16)10-17(13)22/h8,12-15,17-18,22-23H,2-7,9-10H2,1H3/t12-,13?,14-,15-,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