BindingDB PrimarySearch

BDBM50044669 CHEMBL3353356::US10358436, Example A220::US9907800, Example A220

SMILES: Fc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1

InChI Key:

Data: 14 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50044669
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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| US99078...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
EntreMed Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| US99078...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
EntreMed Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| 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 Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
EntreMed Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| US99078...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
EntreMed Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| 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 Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
EntreMed Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| 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 Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
EntreMed Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| US99078...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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
Aurora kinase B (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| US99078...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| US99078...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| 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 Patents 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
Aurora kinase B (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| US99078...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| US99078...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| 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 Patents 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
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50044669 (CHEMBL3353356 \| US10358436, Example A220 \| 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 Patents 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