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BDBM319995 3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiazol-2-yl)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide::US10174016, Example 162::US10174016, Example 338::US10202369, Example 339::US10472354, Example 338
SMILES: CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
InChI Key: InChIKey=FSGDRFBLPAILDE-IYXRBSQSSA-N
Data: 23 IC50
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | US Patent | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10183937 (2019) BindingDB Entry DOI: 10.7270/Q2028TNS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X2/3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat... | US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10183937 (2019) BindingDB Entry DOI: 10.7270/Q2028TNS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10183937 (2019) BindingDB Entry DOI: 10.7270/Q2028TNS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
BEYER AKTIENGESELLSCHAFT US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10174016 (2019) BindingDB Entry DOI: 10.7270/Q2GB264F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
BEYER AKTIENGESELLSCHAFT US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10174016 (2019) BindingDB Entry DOI: 10.7270/Q2GB264F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
BEYER AKTIENGESELLSCHAFT US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10174016 (2019) BindingDB Entry DOI: 10.7270/Q2GB264F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
BEYER AKTIENGESELLSCHAFT US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10174016 (2019) BindingDB Entry DOI: 10.7270/Q2GB264F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X2/3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X2/3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X2/3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1... | US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat... | US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X2/3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat... | US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat... | US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM319995 (3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft US Patent | Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... | US Patent US10183937 (2019) BindingDB Entry DOI: 10.7270/Q2028TNS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
