Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen-related receptor gamma' and Ligand = 'BDBM485052'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM485052 (US10934303, Cmpd No. 18a | US10934303, Example 20 ...) Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...				US Patent US10934303 (2021) BindingDB Entry DOI: 10.7270/Q2V40ZBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM485052 (US10934303, Cmpd No. 18a | US10934303, Example 20 ...) Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...				Citation and Details BindingDB Entry DOI: 10.7270/Q25D8W20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM485052 (US10934303, Cmpd No. 18a | US10934303, Example 20 ...) Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...				US Patent US10934303 (2021) BindingDB Entry DOI: 10.7270/Q2V40ZBT
					More data for this Ligand-Target Pair				3D Structure (crystal)