BindingDB PrimarySearch

BDBM50419254 CHEMBL1835063

SMILES: N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1

InChI Key: InChIKey=ASMLDRAEBPYENO-NSHDSACASA-N

Data: 15 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50419254
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
Aurora kinase B (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant Flag-6His-Thr-tagged Aurora B assessed as phosphorylation of 5FAM-PKA-tide substrate after 150 mins by fuorescence po...				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair
CaM kinase I delta (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate...				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells after 2 hrs by Cy3b-Dofetilide-based fluorescence polarisation assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 4 (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human RIPK4 using histone H2A as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
CaM kinase I delta (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PIM (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human PIM1 using KKRNRTLTK as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human TAK1 using casein as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase 2 (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	9.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human CK2a using RRRDDDSDDD as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5 (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human MEK5 using ERK5 as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human MLK3 using myelin basic protein as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
SRC (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human BLK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2 (Homo sapiens (Human))	BDBM50419254 (CHEMBL1835063) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair