Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Endothelial PAS domain-containing protein 1' and Ligand = 'BDBM372986'   

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))	BDBM372986 (US10597366, Compound 25 | US9896418, Compound 25) Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cncc(Cl)c1)ccc2S(=O)(=O)C(F)F |r| Show InChI InChI=1S/C15H10ClF4NO4S/c16-7-3-8(6-21-5-7)25-10-1-2-11(26(23,24)14(17)18)12-9(10)4-15(19,20)13(12)22/h1-3,5-6,13-14,22H,4H2/t13-/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	29	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))	BDBM372986 (US10597366, Compound 25 | US9896418, Compound 25) Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cncc(Cl)c1)ccc2S(=O)(=O)C(F)F |r| Show InChI InChI=1S/C15H10ClF4NO4S/c16-7-3-8(6-21-5-7)25-10-1-2-11(26(23,24)14(17)18)12-9(10)4-15(19,20)13(12)22/h1-3,5-6,13-14,22H,4H2/t13-/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	60	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))	BDBM372986 (US10597366, Compound 25 | US9896418, Compound 25) Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cncc(Cl)c1)ccc2S(=O)(=O)C(F)F |r| Show InChI InChI=1S/C15H10ClF4NO4S/c16-7-3-8(6-21-5-7)25-10-1-2-11(26(23,24)14(17)18)12-9(10)4-15(19,20)13(12)22/h1-3,5-6,13-14,22H,4H2/t13-/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	617	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 assessed as free plasma adjusted EC50 for reduction in VEGFA concentration after 24 hrs by ELI...				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))	BDBM372986 (US10597366, Compound 25 | US9896418, Compound 25) Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cncc(Cl)c1)ccc2S(=O)(=O)C(F)F |r| Show InChI InChI=1S/C15H10ClF4NO4S/c16-7-3-8(6-21-5-7)25-10-1-2-11(26(23,24)14(17)18)12-9(10)4-15(19,20)13(12)22/h1-3,5-6,13-14,22H,4H2/t13-/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	37	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 assessed as reduction in VEGFA concentration after 24 hrs by ELISA				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))	BDBM372986 (US10597366, Compound 25 | US9896418, Compound 25) Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cncc(Cl)c1)ccc2S(=O)(=O)C(F)F |r| Show InChI InChI=1S/C15H10ClF4NO4S/c16-7-3-8(6-21-5-7)25-10-1-2-11(26(23,24)14(17)18)12-9(10)4-15(19,20)13(12)22/h1-3,5-6,13-14,22H,4H2/t13-/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	65	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