BindingDB PrimarySearch

BDBM50453821 CHEMBL4206831

SMILES: CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)cc1

InChI Key: InChIKey=KGXBCWANASZZQG-UHFFFAOYSA-N

Data: 6 IC50 2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50453821
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
Aurora kinase A (Homo sapiens (Human))	BDBM50453821 (CHEMBL4206831) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human Aurora A expressed in baculovirus expression system by Z'LYTE assay				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50453821 (CHEMBL4206831) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human Aurora B expressed in baculovirus expression system by Z'LYTE assay				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50453821 (CHEMBL4206831) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Aurora A auto-phosphorylation in human HCT116 cells after 4 hrs by Western blot analysis				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50453821 (CHEMBL4206831) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human PLK4 (1 to 836 residues) by Lanthascreen binding assay				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50453821 (CHEMBL4206831) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	714	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human LRRK2 (970 to 2527 residues) catalytic domain expressed in baculovirus expression system by ADAPTA assay				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50453821 (CHEMBL4206831) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by AlphaScreen assay				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C (Homo sapiens (Human))	BDBM50453821 (CHEMBL4206831) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant full length GST-tagged human Aurora C expressed in baculovirus expression system by Z'LYTE assay				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50453821 (CHEMBL4206831) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Aurora B in human HCT116 cells assessed as reduction in histone H3 phosphorylation at S10 residues after 4 hrs by Western blot analysis				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair