BDBM50517935 CHEMBL4526434

SMILES: OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1

InChI Key: InChIKey=MUGVHYZIUXNFTE-XYPYZODXSA-N

Data: 2 IC50  10 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 12 hits for monomerid = 50517935   

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))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	357	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor beta (unknown origin) by FRET-based assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	930	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor alpha (unknown origin) by FRET-based assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at human GST-tagged estrogen receptor beta ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor beta (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucife...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	289	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor alpha ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based lucif...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 preincubated for 10 mins followed by NADPH addition and measured after 10 to 30 mins by P450-Glo luminescence ...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at human GST-tagged estrogen receptor alpha ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50517935 (CHEMBL4526434) Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)| Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 preincubated for 10 mins followed by NADPH addition and measured after 10 to 30 mins by P450-Glo luminescence ...				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601
					More data for this Ligand-Target Pair