BindingDB PrimarySearch

BDBM373008 US10597366, Compound 163::US9896418, Compound 163

SMILES: CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12

InChI Key: InChIKey=ONBSHRSJOPSEGS-INIZCTEOSA-N

Data: 12 IC50 8 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 373008
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Vascular endothelial growth factor A (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	42	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
Research Triangle Institute					More data for this Ligand-Target Pair
Vascular endothelial growth factor A (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	42	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)
Peloton Therapeutics, Inc. US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of of CYP2C8 in human liver microsomes using amodiaquine as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 20 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	158	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
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	27	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
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	41	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
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	12	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
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of of CYP1A2 in human liver microsomes using phenacetin after 10 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of of CYP2B6 in human liver microsomes using bupropion as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peloton Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 9691-9721 (2018) Article DOI: 10.1021/acs.jmedchem.8b01196 BindingDB Entry DOI: 10.7270/Q2H997RJ
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	12	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
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	27	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
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	46	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 assessed as reduction in VEGFA level incubated for 20 hrs prior to compound ...				J Med Chem 62: 6876-6893 (2019) Article DOI: 10.1021/acs.jmedchem.9b00719
Peloton Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	8.5	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)
Peloton Therapeutics, Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	17	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)
Peloton Therapeutics, Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<5	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)
Peloton Therapeutics, Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor A (Homo sapiens (Human))	BDBM373008 (US10597366, Compound 163 \| US9896418, Compound 163) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	42	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
The Scripps Research Institute					More data for this Ligand-Target Pair