BDBM50343565 1-methyl-8-(5-(pyrrolidin-2-ylamino)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1774332

SMILES: Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCCN5)ccc4OC(F)(F)F)nc3-c12

InChI Key: InChIKey=SPFHEVHMQYYTHW-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 = 50343565   

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))	BDBM50343565 (1-methyl-8-(5-(pyrrolidin-2-ylamino)-2-(trifluorom...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCCN5)ccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-33-19-13(18(32-33)20(26)34)6-4-11-10-28-21(31-17(11)19)30-14-9-12(29-16-3-2-8-27-16)5-7-15(14)35-22(23,24)25/h5,7,9-10,16,27,29H,2-4,6,8H2,1H3,(H2,26,34)(H,28,30,31)	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	762	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))	BDBM50343565 (1-methyl-8-(5-(pyrrolidin-2-ylamino)-2-(trifluorom...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCCN5)ccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-33-19-13(18(32-33)20(26)34)6-4-11-10-28-21(31-17(11)19)30-14-9-12(29-16-3-2-8-27-16)5-7-15(14)35-22(23,24)25/h5,7,9-10,16,27,29H,2-4,6,8H2,1H3,(H2,26,34)(H,28,30,31)	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	83	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))	BDBM50343565 (1-methyl-8-(5-(pyrrolidin-2-ylamino)-2-(trifluorom...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCCN5)ccc4OC(F)(F)F)nc3-c12 Show InChI InChI=1S/C22H23F3N8O2/c1-33-19-13(18(32-33)20(26)34)6-4-11-10-28-21(31-17(11)19)30-14-9-12(29-16-3-2-8-27-16)5-7-15(14)35-22(23,24)25/h5,7,9-10,16,27,29H,2-4,6,8H2,1H3,(H2,26,34)(H,28,30,31)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	239	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