BDBM50343566 1-methyl-8-(5-(3-(4-methylpiperazin-1-yl)propylamino)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1774333

SMILES: CN1CCN(CCCNc2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(C)c5-c4n3)C(N)=O)c2)CC1

InChI Key: InChIKey=YMKBQPSSBXLIRY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50343566   

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
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50343566 (1-methyl-8-(5-(3-(4-methylpiperazin-1-yl)propylami...) Show SMILES CN1CCN(CCCNc2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(C)c5-c4n3)C(N)=O)c2)CC1 Show InChI InChI=1S/C26H32F3N9O2/c1-36-10-12-38(13-11-36)9-3-8-31-17-5-7-20(40-26(27,28)29)19(14-17)33-25-32-15-16-4-6-18-22(24(30)39)35-37(2)23(18)21(16)34-25/h5,7,14-15,31H,3-4,6,8-13H2,1-2H3,(H2,30,39)(H,32,33,34)	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	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				Bioorg Med Chem Lett 21: 2969-74 (2011) Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50343566 (1-methyl-8-(5-(3-(4-methylpiperazin-1-yl)propylami...) Show SMILES CN1CCN(CCCNc2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(C)c5-c4n3)C(N)=O)c2)CC1 Show InChI InChI=1S/C26H32F3N9O2/c1-36-10-12-38(13-11-36)9-3-8-31-17-5-7-20(40-26(27,28)29)19(14-17)33-25-32-15-16-4-6-18-22(24(30)39)35-37(2)23(18)21(16)34-25/h5,7,14-15,31H,3-4,6,8-13H2,1-2H3,(H2,30,39)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	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 after 60 mins by gamma counting				Bioorg Med Chem Lett 21: 2969-74 (2011) Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50343566 (1-methyl-8-(5-(3-(4-methylpiperazin-1-yl)propylami...) Show SMILES CN1CCN(CCCNc2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(C)c5-c4n3)C(N)=O)c2)CC1 Show InChI InChI=1S/C26H32F3N9O2/c1-36-10-12-38(13-11-36)9-3-8-31-17-5-7-20(40-26(27,28)29)19(14-17)33-25-32-15-16-4-6-18-22(24(30)39)35-37(2)23(18)21(16)34-25/h5,7,14-15,31H,3-4,6,8-13H2,1-2H3,(H2,30,39)(H,32,33,34)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	713	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				Bioorg Med Chem Lett 21: 2969-74 (2011) Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W
					More data for this Ligand-Target Pair