BDBM373040 US10597366, Compound 289::US9896418, Compound 289

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

InChI Key InChIKey=LOMMPXLFBTZENJ-ZACQAIPSSA-N

Data  3 IC50  5 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 373040   

TargetVascular endothelial growth factor A(Homo sapiens (Human))
PELOTON THERAPEUTICS, INC.

US Patent
LigandPNGBDBM373040(US10597366, Compound 289 | US9896418, Compound 289)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12
Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Affinity DataEC50:  18nMAssay Description:Four hours later, serial dilutions of 10× compound stocks were made in growth medium from 500×DMSO stocks, and 20 μL of those 10× stocks were ad...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor A(Homo sapiens (Human))
PELOTON THERAPEUTICS, INC.

US Patent
LigandPNGBDBM373040(US10597366, Compound 289 | US9896418, Compound 289)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12
Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Affinity DataEC50:  18nMAssay Description:About 7500 of 786-0 cells in 180 μL of growth medium were seeded into each well of a 96 well plate with white clear bottom on the first day (07-...More data for this Ligand-Target Pair
TargetEndothelial PAS domain-containing protein 1(Homo sapiens (Human))
Peloton Therapeutics, Inc.

Curated by ChEMBL
LigandPNGBDBM373040(US10597366, Compound 289 | US9896418, Compound 289)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12
Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Affinity DataIC50: 9nMAssay 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...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor A(Homo sapiens (Human))
PELOTON THERAPEUTICS, INC.

US Patent
LigandPNGBDBM373040(US10597366, Compound 289 | US9896418, Compound 289)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12
Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Affinity DataEC50:  18nMAssay Description:VEGF: Four hours later, serial dilutions of 10x compound stocks were made in growth medium from 500xDMSO stocks, and 20 uL of those 10x stocks were a...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Peloton Therapeutics, Inc.

Curated by ChEMBL
LigandPNGBDBM373040(US10597366, Compound 289 | US9896418, Compound 289)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12
Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human ERG expressed in mammalian expression system by Q-patch clamp electrophysiology methodMore data for this Ligand-Target Pair
TargetEndothelial PAS domain-containing protein 1(Homo sapiens (Human))
Peloton Therapeutics, Inc.

Curated by ChEMBL
LigandPNGBDBM373040(US10597366, Compound 289 | US9896418, Compound 289)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12
Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Affinity DataEC50:  17nMAssay Description:Inhibition of HIF-2alpha (unknown origin) expressed in human 786-O cells assessed as reduction in VEGFA level incubated for 20 hrs prior to compound ...More data for this Ligand-Target Pair
TargetEndothelial PAS domain-containing protein 1(Homo sapiens (Human))
Peloton Therapeutics, Inc.

Curated by ChEMBL
LigandPNGBDBM373040(US10597366, Compound 289 | US9896418, Compound 289)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12
Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
TargetEndothelial PAS domain-containing protein 1(Homo sapiens (Human))
Peloton Therapeutics, Inc.

Curated by ChEMBL
LigandPNGBDBM373040(US10597366, Compound 289 | US9896418, Compound 289)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12
Show InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Affinity DataEC50:  11nMAssay Description:Inhibition of HIF-2alpha (unknown origin) expressed in human 786-O cells measured after 24 hrs by one-glo luciferase reporter gene assayMore data for this Ligand-Target Pair