null
SMILES: C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
InChI Key: InChIKey=GXEXIUKEWXZCEF-UMVBOHGHSA-N
PDB links: 1 PDB ID matches this monomer.
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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Serine/threonine-protein kinase Sgk2 (Homo sapiens) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged SGK2 catalytic domain (54 to 427 residues) expressed in baculovirus expression system using serine/threoni... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 1 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB MMDB NCI pathway 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system using serine/threonine-7 peptide as subs... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 amino acids) expressed in baculovirus expression system using ERM (LRR... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human GST-tagged TBK1 expressed in insect expression system using serine/threonine-5 peptide as substrate incub... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human His-tagged SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB MMDB NCI pathway 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PIK3C2alpha catalytic domain expressed in baculovirus expression system using PI li... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PAK 3 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human His-tagged PAK3 expressed in baculovirus expression system using serine/threonine-20 peptide as substrate... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Lyn (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human GST-tagged LYN-A expressed in insect cells using tyrosine-2 peptide as substrate incubated for 60 mins in... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NUAK family SNF1-like kinase 1 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length His-tagged human NUAK1 expressed in baculovirus expression system using CHKtide as substrate after 1 hr in pres... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged TYK2 catalytic domain (833 to 1187 residues) expressed in baculovirus expression system using tyrosine-3 p... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C beta type (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB MMDB NCI pathway 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human GST-tagged PKCbeta1 expressed in insect expression system using serine/threonine-7 peptide as substrate i... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged RET V804L mutant cytoplasmic domain expressed in baculovirus expression system using tyr02 peptide as subs... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 10 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB MMDB NCI pathway 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human GST-tagged JNK3 expressed in baculovirus expression system using serine/threonine-4 peptide as substrate ... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Nek1 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged NEK1 catalytic domain (1 to 505 residues) expressed in baculovirus expression system using serine/threonin... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal GST tagged JAK2 JH1 catalytic domain (532 to 1132 residues) expressed in baculovirus expression system usi... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Testis-specific serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human His-tagged STK22B expressed in baculovirus expression system using serine/threonine-04 peptide as substra... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Nek9 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged NEK9 catalytic domain (347 to 732 residues) expressed in baculovirus expression system using serine/threon... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human GST-tagged PLK2 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C beta type (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB MMDB NCI pathway 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human GST-tagged PKCbeta1 expressed in insect expression system using serine/threonine-7 peptide as substrate i... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-dependent protein kinase catalytic subunit PRKX (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant full length human GST-tagged PRKX expressed in baculovirus expression system using serine/threonine-1 peptide as substrate ... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of human recombinant His-tagged KIT cytoplasmic domain expressed in baculovirus expression system using Tyr6 peptide as measured after 1 h... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibroblast growth factor receptor 3 (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged human FGFR3 (399 to 806 residues) cytoplasmic domain expressed in baculovirus expression system using Tyr 04 pep... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Platelet-derived growth factor receptor alpha (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged PDGFRalpha V561D mutant cytoplasmic domain expressed in baculovirus expression system using tyrosine-4 pep... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculovirus expression system using tyrosine 4 peptide as substrate after 6... | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform [14-604] (Homo sapiens (Human)) | BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4ŚReaction... | Citation and Details BindingDB Entry DOI: 10.7270/Q2HQ433M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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