BDBM372994 US10597366, Compound 74::US9896418, Compound 74

SMILES: OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F

InChI Key: InChIKey=GREQBABHNZHCOV-UHFFFAOYSA-N

Data: 2 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 372994   

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
Vascular endothelial growth factor A (Homo sapiens (Human))	BDBM372994 (US10597366, Compound 74 | US9896418, Compound 74) Show SMILES OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F Show InChI InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay 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...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2QC05TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor A (Homo sapiens (Human))	BDBM372994 (US10597366, Compound 74 | US9896418, Compound 74) Show SMILES OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F Show InChI InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay 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-...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2FN18HM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor A (Homo sapiens (Human))	BDBM372994 (US10597366, Compound 74 | US9896418, Compound 74) Show SMILES OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F Show InChI InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. US Patent					Assay 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...				US Patent US10597366 (2020)
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM372994 (US10597366, Compound 74 | US9896418, Compound 74) Show SMILES OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F Show InChI InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	330	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				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM372994 (US10597366, Compound 74 | US9896418, Compound 74) Show SMILES OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F Show InChI InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	150	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				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM372994 (US10597366, Compound 74 | US9896418, Compound 74) Show SMILES OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F Show InChI InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	55	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				3D Structure (crystal)