BindingDB PrimarySearch

BDBM50329915 1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1271644

SMILES: Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12

InChI Key: InChIKey=TUWAYASUNDRSML-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50329915
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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50329915 (1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...) Show SMILES 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	2	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
Nerviano Medical Sciences S.r.l. US Patent					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50329915 (1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...) Show SMILES Show InChI	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK2				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
Nerviano Medical Sciences srl Curated by ChEMBL					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50329915 (1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...) Show SMILES Show InChI	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	>1.00E+4	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				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
Nerviano Medical Sciences srl Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50329915 (1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...) Show SMILES 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	194	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of FLT3				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
Nerviano Medical Sciences srl Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50329915 (1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK3				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
Nerviano Medical Sciences srl Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50329915 (1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...) Show SMILES 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	2	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK1				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
Nerviano Medical Sciences srl Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase NEK6 (Homo sapiens (Human))	BDBM50329915 (1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	595	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of NEK6				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
Nerviano Medical Sciences srl Curated by ChEMBL					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50329915 (1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
Nerviano Medical Sciences srl Curated by ChEMBL					More data for this Ligand-Target Pair