Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelial PAS domain-containing protein 1' and Ligand = 'BDBM50450495'   

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
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50450495 (CHEMBL4159016 | US10597366, Compound 206) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r| Show InChI InChI=1S/C18H14F3NO4S/c1-2-27(24,25)15-4-3-14(13-8-18(20,21)17(23)16(13)15)26-12-6-10(9-22)5-11(19)7-12/h3-7,17,23H,2,8H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50450495 (CHEMBL4159016 | US10597366, Compound 206) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r| Show InChI InChI=1S/C18H14F3NO4S/c1-2-27(24,25)15-4-3-14(13-8-18(20,21)17(23)16(13)15)26-12-6-10(9-22)5-11(19)7-12/h3-7,17,23H,2,8H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. US Patent					Assay Description HIF-2a: The total assay volume was about 100 uL in the following configuration: 2 uL compound in 100% DMSO, 88 uL buffer with protein and probe and 1...				US Patent US10597366 (2020) BindingDB Entry DOI: 10.7270/Q2M32ZSW
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50450495 (CHEMBL4159016 | US10597366, Compound 206) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r| Show InChI InChI=1S/C18H14F3NO4S/c1-2-27(24,25)15-4-3-14(13-8-18(20,21)17(23)16(13)15)26-12-6-10(9-22)5-11(19)7-12/h3-7,17,23H,2,8H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	88	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Antagonist activity at HIF-2alpha in human 786-O cells co-expressing HIF responsive element after 24 hrs by ONE-Glo luciferase reporter gene assay				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
					More data for this Ligand-Target Pair