BindingDB PrimarySearch

null

SMILES: CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50582077
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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	545	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK2 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	342	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LRRK2 (unknown origin) by ADAPTA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LRRK2 G2019S mutant (unknown origin) by ADAPTA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK1 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) 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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 3 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAPKAPK3 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SRC N1 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	944	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TSSK2 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	KEGG UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of TSSK1 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TTK autophosphorylation at T686 residue in human CAL-51 cells measured after 1 hr by Western blot analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) 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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP2C8 in human liver microsomes				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50582077 (CHEMBL5085753) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	602	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK2 (unknown origin) by Z-lyte assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
TBA					More data for this Ligand-Target Pair