BDBM246877 4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]azetidin-1-yl}-2,5- difluoro-N-[(1S)- 2,2,2-trifluoro-1- methylethyl] benzamide::US10053465, 16::US10065963, Compound 16::US10125150, Example 16::US10336759, # 16::US10479803, Example 16::US10519163, Example 16::US10675284, Example 16::US9611269, Example 28::US9732097, Example 16
SMILES: C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F
InChI Key:
Data: 19 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 |
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Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description The compounds in Table A were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analy... | US Patent US10125150 (2018) BindingDB Entry DOI: 10.7270/Q2HM5BH7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase receptor TYRO3 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description In some embodiments, the additional pharmaceutical agent is a JAK1 and/or JAK2 inhibitor. In some embodiments, the present application provides a met... | US Patent US10077277 (2018) BindingDB Entry DOI: 10.7270/Q29025T0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | 7.8 | 25 |
Incyte Corporation US Patent | Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi... | US Patent US10065963 (2018) BindingDB Entry DOI: 10.7270/Q2H41TFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com... | US Patent US10053465 (2018) BindingDB Entry DOI: 10.7270/Q2B27X98 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Mer (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | 25 |
Incyte Corporation US Patent | Assay Description The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ... | US Patent US10053465 (2018) BindingDB Entry DOI: 10.7270/Q2B27X98 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | 25 |
Incyte Corporation US Patent | Assay Description The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ... | US Patent US10053465 (2018) BindingDB Entry DOI: 10.7270/Q2B27X98 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase receptor TYRO3 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Incyte Corporation US Patent | Assay Description The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ... | US Patent US10053465 (2018) BindingDB Entry DOI: 10.7270/Q2B27X98 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation; Incyte Holdings Corporation US Patent | Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi... | US Patent US9611269 (2017) BindingDB Entry DOI: 10.7270/Q2HH6N5T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation; Incyte Holdings Corporation US Patent | Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi... | US Patent US9611269 (2017) BindingDB Entry DOI: 10.7270/Q2HH6N5T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ... | US Patent US9732097 (2017) BindingDB Entry DOI: 10.7270/Q2DF6TBH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description PI3-Kinase luminescent assay kit including lipid kinase substrate, D-myo-phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octan... | US Patent US10336759 (2019) BindingDB Entry DOI: 10.7270/Q2R213RM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Mer (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ... | US Patent US10519163 (2019) BindingDB Entry DOI: 10.7270/Q28K7CGF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ... | US Patent US10519163 (2019) BindingDB Entry DOI: 10.7270/Q28K7CGF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase receptor TYRO3 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ... | US Patent US10519163 (2019) BindingDB Entry DOI: 10.7270/Q28K7CGF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description PI3K: The kinase reactions are conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors are ... | US Patent US10479803 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation; Incyte Holdings Corporation US Patent | Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi... | US Patent US10513522 (2019) BindingDB Entry DOI: 10.7270/Q2QN695X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation; Incyte Holdings Corporation US Patent | Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi... | US Patent US10513522 (2019) BindingDB Entry DOI: 10.7270/Q2QN695X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi... | US Patent US10675284 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK1 (aa 837-1142) (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK1 (aa 837-1142) (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MER intracellular domain/EGFR extracellular domain chimera (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TEL/AXL (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM246877![]() (4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation US Patent | Assay Description As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com... | US Patent US9708333 (2017) BindingDB Entry DOI: 10.7270/Q2KD20XW | |||||||||||
More data for this Ligand-Target Pair |