BDBM50450496 CHEMBL4170809::US10597366, Compound 271

SMILES: CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2C[C@H](F)[C@@H](O)c12

InChI Key: InChIKey=GTHLUQQEKIJSME-SUMWQHHRSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 50450496   

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
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50450496 (CHEMBL4170809 | US10597366, Compound 271) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2C[C@H](F)[C@@H](O)c12 |r| Show InChI InChI=1S/C17H13F2NO4S/c1-25(22,23)15-3-2-14(12-7-13(19)17(21)16(12)15)24-11-5-9(8-20)4-10(18)6-11/h2-6,13,17,21H,7H2,1H3/t13-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	490	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
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50450496 (CHEMBL4170809 | US10597366, Compound 271) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2C[C@H](F)[C@@H](O)c12 |r| Show InChI InChI=1S/C17H13F2NO4S/c1-25(22,23)15-3-2-14(12-7-13(19)17(21)16(12)15)24-11-5-9(8-20)4-10(18)6-11/h2-6,13,17,21H,7H2,1H3/t13-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	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))	BDBM50450496 (CHEMBL4170809 | US10597366, Compound 271) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2C[C@H](F)[C@@H](O)c12 |r| Show InChI InChI=1S/C17H13F2NO4S/c1-25(22,23)15-3-2-14(12-7-13(19)17(21)16(12)15)24-11-5-9(8-20)4-10(18)6-11/h2-6,13,17,21H,7H2,1H3/t13-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	340	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)
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50450496 (CHEMBL4170809 | US10597366, Compound 271) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2C[C@H](F)[C@@H](O)c12 |r| Show InChI InChI=1S/C17H13F2NO4S/c1-25(22,23)15-3-2-14(12-7-13(19)17(21)16(12)15)24-11-5-9(8-20)4-10(18)6-11/h2-6,13,17,21H,7H2,1H3/t13-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of HIF-2alpha (unknown origin) expressed in human 786-O cells measured after 24 hrs by one-glo luciferase reporter gene assay				J Med Chem 62: 6876-6893 (2019) Article DOI: 10.1021/acs.jmedchem.9b00719
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50450496 (CHEMBL4170809 | US10597366, Compound 271) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2C[C@H](F)[C@@H](O)c12 |r| Show InChI InChI=1S/C17H13F2NO4S/c1-25(22,23)15-3-2-14(12-7-13(19)17(21)16(12)15)24-11-5-9(8-20)4-10(18)6-11/h2-6,13,17,21H,7H2,1H3/t13-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of N-(3-Chlorophenyl-4,6-t2)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine binding to his-tagged HIF-2alpha PAS-B domain (unknown origin) measur...				J Med Chem 62: 6876-6893 (2019) Article DOI: 10.1021/acs.jmedchem.9b00719
					More data for this Ligand-Target Pair