null

SMILES: CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br

InChI Key: InChIKey=VHSVKVWHYFBIFJ-HKZYLEAXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50303803   

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 (Mus musculus)	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor in mouse COS7 cells by competitive binding assay				Nat Chem Biol 5: 421-7 (2009) Article DOI: 10.1038/nchembio.168 BindingDB Entry DOI: 10.7270/Q2RB74TZ
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center (UP-CDC) Curated by ChEMBL					Assay Description Inhibition of estrogen binding to GPR30 (unknown origin)				J Med Chem 56: 7161-76 (2013) Article DOI: 10.1021/jm400132d BindingDB Entry DOI: 10.7270/Q2V69M09
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
New Mexico State University Curated by ChEMBL					Assay Description Binding affinity to GPR30				J Med Chem 53: 1004-14 (2010) Article DOI: 10.1021/jm9011802 BindingDB Entry DOI: 10.7270/Q2571C3V
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a
Saint Louis University Curated by ChEMBL					Assay Description Agonist activity at GPER (unknown origin) expressed in human HL60 cells assessed as increase in cAMP accumulation in presence of IBMX after 15 mins b...				ACS Med Chem Lett 9: 901-906 (2018) Article DOI: 10.1021/acsmedchemlett.8b00212 BindingDB Entry DOI: 10.7270/Q2930WTZ
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	184	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2VQ313H
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	48.7	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HQ3XB9
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center (UP-CDC) Curated by ChEMBL					Assay Description Agonist activity at GPR30 (unknown origin) by calcium mobilization assay				J Med Chem 56: 7161-76 (2013) Article DOI: 10.1021/jm400132d BindingDB Entry DOI: 10.7270/Q2V69M09
					More data for this Ligand-Target Pair
POsterior Segregation (Caenorhabditis elegans)	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C
					More data for this Ligand-Target Pair
Zinc finger protein mex-5 (Caenorhabditis elegans)	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP
					More data for this Ligand-Target Pair