BindingDB PrimarySearch

BDBM50073586 CHEMBL3408946::US10358436, Example A198::US9907800, Example A198

SMILES: C[C@H]1CN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C[C@@H](C)O1

InChI Key:

Data: 1 KI 10 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50073586
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
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) by fluorescence assay				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using DBF as substrate by fluorescence assay				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using BFC as substrate by fluorescence assay				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...				US Patent US10358436 (2019) BindingDB Entry DOI: 10.7270/Q2K939WH
University Health Network US Patent					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2KD216W
The Scripps Research Institute					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2KD216W
The Scripps Research Institute					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Active PLK4 was purified from an E. coli expression system as an amino terminal GST fusion of residues 1-391 of human PLK4. The protein was purified ...				US Patent US10358436 (2019) BindingDB Entry DOI: 10.7270/Q2K939WH
University Health Network US Patent					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...				US Patent US10358436 (2019) BindingDB Entry DOI: 10.7270/Q2K939WH
University Health Network US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) by fluorescence assay				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50073586 (CHEMBL3408946 \| US10358436, Example A198 \| US99078...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PLK4 (unknown origin) by ELISA				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair