BDBM50044656 CHEMBL3353348::US10358436, Example A35::US9907800, Example A35
SMILES: COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
InChI Key:
Data: 21 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | 850 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | 750 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc. Curated by ChEMBL | Assay Description Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay | J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | PDB MMDB NCI pathway 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 | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc. Curated by ChEMBL | Assay Description Inhibition of KDR (unknown origin) by FRET-based homogeneous assay | J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | 1.10 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.50E+3 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.00E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.50E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.370 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute | 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... | J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2KD216W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | 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 | 550 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50044656 (CHEMBL3353348 | US10358436, Example A35 | US990780...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc. Curated by ChEMBL | Assay Description Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay | J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W | |||||||||||
More data for this Ligand-Target Pair |