BDBM50318085 1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-pyrazolo-[4,3-h]quinazoline-3-carboxamide::CHEMBL1094477
SMILES: Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
InChI Key: InChIKey=OXPLZKSKLWBEIM-UHFFFAOYSA-N
Data: 10 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 |
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Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | 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 | 14 | n/a | n/a | n/a | n/a | 7.9 | n/a |
Nerviano Medical Sciences S.r.l. US Patent | Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci... | US Patent US8614220 (2013) BindingDB Entry DOI: 10.7270/Q23J3BNV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting | J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | 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 | 605 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl Curated by ChEMBL | Assay Description Inhibition of Aurora A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting | J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl Curated by ChEMBL | Assay Description Inhibition of Plk3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting | J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl Curated by ChEMBL | Assay Description Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting | Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl Curated by ChEMBL | Assay Description Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting | J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | 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 | 241 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl Curated by ChEMBL | Assay Description Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting | Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | 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 | 605 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl Curated by ChEMBL | Assay Description Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting | Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences srl Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting | Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human)) | BDBM50318085 (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...) | PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl Curated by ChEMBL | Assay Description Inhibition of Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting | J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D | |||||||||||
More data for this Ligand-Target Pair |