BDBM320165 3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide, as a Mixture of Two Diastereoisomers::US10174016, Example 332::US10202369, Example 333
SMILES: C[C@@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
InChI Key: InChIKey=FUZHKJYNGBDBHI-NKTHEXPSSA-N
Data: 15 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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 | |||||||||||||
P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 122 | 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 174 | 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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 | 174 | 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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 | 122 | 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 1A (Homo sapiens (Human)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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 | 1.98E+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)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | 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 | |||||||||||||
P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM320165 (3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 174 | 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 |