BDBM50248946 CHEMBL1908392::US10981896, Compound 16
SMILES: CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1
InChI Key: InChIKey=FCLPVPNWFDOVKL-DQSJHHFOSA-N
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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Maternal embryonic leucine zipper kinase (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent | Assay Description MELK and its substrate, Bcl-G were both recombinantly expressed and purified for use in screening assays (See Methods). 752 compounds from an in-hous... | US Patent US10981896 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Maternal embryonic leucine zipper kinase (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin Curated by ChEMBL | Assay Description Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s... | Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NUAK family SNF1-like kinase 1 (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin Curated by ChEMBL | Assay Description Inhibition of full length recombinant human N-terminal GST-tagged NUAK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as subst... | Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NUAK family SNF1-like kinase 1 (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent | Assay Description Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w... | US Patent US10981896 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent | Assay Description Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w... | US Patent US10981896 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin Curated by ChEMBL | Assay Description Inhibition of full length recombinant human N-terminal His-tagged CHK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as substr... | Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent | Assay Description Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w... | US Patent US10981896 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent | Assay Description Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w... | US Patent US10981896 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin Curated by ChEMBL | Assay Description Inhibition of CAMKK2 (unknown origin) using NUAK2 peptide as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation co... | Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 1 (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent | Assay Description Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w... | US Patent US10981896 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 1 (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin Curated by ChEMBL | Assay Description Inhibition of ERK2 (unknown origin) using Ets-1 as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting met... | Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Maternal embryonic leucine zipper kinase (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent | Assay Description The top 10 hits from the 1 μM screening and derivatives of MELK-In-1 were subjected to the same assay conditions with varied inhibitor concentra... | US Patent US10981896 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Maternal embryonic leucine zipper kinase (Homo sapiens (Human)) | BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin Curated by ChEMBL | Assay Description Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s... | Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF | |||||||||||
More data for this Ligand-Target Pair |