BindingDB PrimarySearch

BDBM50109821 CHEBI:87103::CHEMBL21156::US10981896, Compound 420099

SMILES: CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21

InChI Key: InChIKey=VNDWQCSOSCCWIP-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 8 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50109821
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...				Bioorg Med Chem 23: 4839-45 (2015) BindingDB Entry DOI: 10.7270/Q2M90BF8
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay				J Med Chem 58: 7596-602 (2015) BindingDB Entry DOI: 10.7270/Q2H70HND
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay				J Med Chem 58: 7596-602 (2015) BindingDB Entry DOI: 10.7270/Q2H70HND
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay				J Med Chem 58: 7596-602 (2015) BindingDB Entry DOI: 10.7270/Q2H70HND
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of Tyk2 (unknown origin) using 1 mM of ATP and Tyr3 peptide by Z'-LYTE kinase assay				J Med Chem 58: 7596-602 (2015) BindingDB Entry DOI: 10.7270/Q2H70HND
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	330	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)
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using 35 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay				J Med Chem 58: 7596-602 (2015) BindingDB Entry DOI: 10.7270/Q2H70HND
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using 16 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay				J Med Chem 58: 7596-602 (2015) BindingDB Entry DOI: 10.7270/Q2H70HND
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of Tyk2 (unknown origin) using 25 uM of ATP and Tyr3 peptide by Z'-LYTE kinase assay				J Med Chem 58: 7596-602 (2015) BindingDB Entry DOI: 10.7270/Q2H70HND
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	330	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
The University of Texas at Austin Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 \| CHEMBL21156 \| US10981896, Compound 4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) using 87 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay				J Med Chem 58: 7596-602 (2015) BindingDB Entry DOI: 10.7270/Q2H70HND
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)