BDBM50450497 CHEMBL4160172::US10597366, Compound 181

SMILES: CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CCC(F)(F)C(O)c12

InChI Key: InChIKey=YPCCTQZBHSMKLO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50450497   

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))	BDBM50450497 (CHEMBL4160172 | US10597366, Compound 181) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CCC(F)(F)C(O)c12 Show InChI InChI=1S/C18H14F3NO4S/c1-27(24,25)15-3-2-14(13-4-5-18(20,21)17(23)16(13)15)26-12-7-10(9-22)6-11(19)8-12/h2-3,6-8,17,23H,4-5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70E+3	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))	BDBM50450497 (CHEMBL4160172 | US10597366, Compound 181) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CCC(F)(F)C(O)c12 Show InChI InChI=1S/C18H14F3NO4S/c1-27(24,25)15-3-2-14(13-4-5-18(20,21)17(23)16(13)15)26-12-7-10(9-22)6-11(19)8-12/h2-3,6-8,17,23H,4-5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	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