BindingDB PrimarySearch

BDBM50507989 CHEMBL4445670

SMILES: CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N

InChI Key: InChIKey=QXURFIGBRGWPQD-UHFFFAOYSA-N

Data: 9 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50507989
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
Extracellular signal-regulated kinase 5 (ERK5) (Homo sapiens (Human))	BDBM50507989 (CHEMBL4445670) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...				J Med Chem 62: 928-940 (2019) Article DOI: 10.1021/acs.jmedchem.8b01606
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50507989 (CHEMBL4445670) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis				J Med Chem 62: 928-940 (2019) Article DOI: 10.1021/acs.jmedchem.8b01606
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5) (Homo sapiens (Human))	BDBM50507989 (CHEMBL4445670) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...				J Med Chem 62: 928-940 (2019) Article DOI: 10.1021/acs.jmedchem.8b01606
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50507989 (CHEMBL4445670) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis				J Med Chem 62: 928-940 (2019) Article DOI: 10.1021/acs.jmedchem.8b01606
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50507989 (CHEMBL4445670) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis				J Med Chem 62: 928-940 (2019) Article DOI: 10.1021/acs.jmedchem.8b01606
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50507989 (CHEMBL4445670) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis				J Med Chem 62: 928-940 (2019) Article DOI: 10.1021/acs.jmedchem.8b01606
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50507989 (CHEMBL4445670) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated with compound and measured by LC-MS/MS analysis				J Med Chem 62: 928-940 (2019) Article DOI: 10.1021/acs.jmedchem.8b01606
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50507989 (CHEMBL4445670) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant human ERG expressed in HEK293 cells at -80 mV holding potential by automated voltage-clamp assay				J Med Chem 62: 928-940 (2019) Article DOI: 10.1021/acs.jmedchem.8b01606
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50507989 (CHEMBL4445670) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis				J Med Chem 62: 928-940 (2019) Article DOI: 10.1021/acs.jmedchem.8b01606
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair