BDBM50530056 CHEMBL4513294

SMILES: Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1

InChI Key: InChIKey=NQAANALTUIQIHT-CYYJNZCTSA-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 = 50530056   

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-related receptor beta (Homo sapiens (Human))	BDBM50530056 (CHEMBL4513294) Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.54E+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 receptor (Homo sapiens (Human))	BDBM50530056 (CHEMBL4513294) Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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))	BDBM50530056 (CHEMBL4513294) Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+	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 receptor (Homo sapiens (Human))	BDBM50530056 (CHEMBL4513294) Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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))	BDBM50530056 (CHEMBL4513294) Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+	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 gamma (Homo sapiens (Human))	BDBM50530056 (CHEMBL4513294) Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+	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	104	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-related receptor beta (Homo sapiens (Human))	BDBM50530056 (CHEMBL4513294) Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.54E+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))	BDBM50530056 (CHEMBL4513294) Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H30N2O2/c30-20-4-7-26(21-5-2-1-3-6-21)27(23-10-14-25(31)15-11-23)22-8-12-24(13-9-22)29-18-16-28-17-19-29/h1-3,5-6,8-15,28,30-31H,4,7,16-20H2/b27-26+	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	104	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