BDBM50044672 CHEMBL3353358::US10358436, Example A217::US9907800, Example A218

SMILES: COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1

InChI Key:

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50044672   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| Show InChI	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	51	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| Show InChI	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	150	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))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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	Article PubMed	n/a	n/a	7.90E+3	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))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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	3.40	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
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 PLK3 inhibition was determined using the Z-Lyte assay kit from Invitrogen (cat #PV3802). The assay was performed using the recommended manufacturer&#...				US Patent US10358436 (2019) BindingDB Entry DOI: 10.7270/Q2K939WH
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50044672 (CHEMBL3353358 | US10358436, Example A217 | US99078...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1 |r| 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
					More data for this Ligand-Target Pair