BindingDB PrimarySearch

null

SMILES: CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1

InChI Key: InChIKey=XKFTZKGMDDZMJI-HSZRJFAPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 12985
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))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 49: 7247-51 (2006) Article DOI: 10.1021/jm060897w BindingDB Entry DOI: 10.7270/Q2NS0S4R
Nerviano Medical Sciences					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aurora B (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112108 BindingDB Entry DOI: 10.7270/Q28S4TN0
TBA					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
National Health Research Institutes Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of aurora A (unknown origin)				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
Sanofi Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of aurora B (unknown origin)				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
Sanofi Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of aurora C (unknown origin)				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
Sanofi Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
National Health Research Institutes Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora C kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
National Health Research Institutes Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ABL1 (unknown origin)				J Med Chem 56: 6991-7002 (2013) Article DOI: 10.1021/jm400798j BindingDB Entry DOI: 10.7270/Q2G44RQC
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase (unknown origin)				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
Nirma University Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of recombinant aurora B (unknown origin)				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
Nirma University Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of Aurora C kinase (unknown origin)				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
Nirma University Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) by biochemical kinase assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115351 BindingDB Entry DOI: 10.7270/Q2PC35XX
Lanzhou University Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) by biochemical kinase assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115351 BindingDB Entry DOI: 10.7270/Q2PC35XX
Lanzhou University Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM12985 (5-Amido-pyrrolopyrazole 9d \| CHEMBL402548 \| N-{5-[...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.5	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 49: 7247-51 (2006) Article DOI: 10.1021/jm060897w BindingDB Entry DOI: 10.7270/Q2NS0S4R
Nerviano Medical Sciences					More data for this Ligand-Target Pair