BDBM50530054 CHEMBL4563806

SMILES: Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1

InChI Key: InChIKey=LOYWLAIOPICKCI-ZQHSETAFSA-N

Data: 8 IC50

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 8 hits for monomerid = 50530054   

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))	BDBM50530054 (CHEMBL4563806) Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50530054 (CHEMBL4563806) Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERRalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen-related receptor beta (Homo sapiens (Human))	BDBM50530054 (CHEMBL4563806) Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERRbeta (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM50530054 (CHEMBL4563806) Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50530054 (CHEMBL4563806) Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERRalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen-related receptor beta (Homo sapiens (Human))	BDBM50530054 (CHEMBL4563806) Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERRbeta (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM50530054 (CHEMBL4563806) Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50530054 (CHEMBL4563806) Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair