BDBM50329928 1-(2-methoxyethyl)-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1271812

SMILES: COCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12

InChI Key: InChIKey=ALDLYIYZAMAOJM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50329928   

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))	BDBM50329928 (1-(2-methoxyethyl)-8-(5-(piperazin-1-yl)-2-(triflu...) Show SMILES COCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12 Show InChI InChI=1S/C25H29F3N8O3/c1-34-7-9-35(10-8-34)16-4-6-19(39-25(26,27)28)18(13-16)31-24-30-14-15-3-5-17-21(23(29)37)33-36(11-12-38-2)22(17)20(15)32-24/h4,6,13-14H,3,5,7-12H2,1-2H3,(H2,29,37)(H,30,31,32)	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	>1.00E+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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50329928 (1-(2-methoxyethyl)-8-(5-(piperazin-1-yl)-2-(triflu...) Show SMILES COCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12 Show InChI InChI=1S/C25H29F3N8O3/c1-34-7-9-35(10-8-34)16-4-6-19(39-25(26,27)28)18(13-16)31-24-30-14-15-3-5-17-21(23(29)37)33-36(11-12-38-2)22(17)20(15)32-24/h4,6,13-14H,3,5,7-12H2,1-2H3,(H2,29,37)(H,30,31,32)	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	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				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50329928 (1-(2-methoxyethyl)-8-(5-(piperazin-1-yl)-2-(triflu...) Show SMILES COCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12 Show InChI InChI=1S/C25H29F3N8O3/c1-34-7-9-35(10-8-34)16-4-6-19(39-25(26,27)28)18(13-16)31-24-30-14-15-3-5-17-21(23(29)37)33-36(11-12-38-2)22(17)20(15)32-24/h4,6,13-14H,3,5,7-12H2,1-2H3,(H2,29,37)(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50329928 (1-(2-methoxyethyl)-8-(5-(piperazin-1-yl)-2-(triflu...) Show SMILES COCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12 Show InChI InChI=1S/C25H29F3N8O3/c1-34-7-9-35(10-8-34)16-4-6-19(39-25(26,27)28)18(13-16)31-24-30-14-15-3-5-17-21(23(29)37)33-36(11-12-38-2)22(17)20(15)32-24/h4,6,13-14H,3,5,7-12H2,1-2H3,(H2,29,37)(H,30,31,32)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 PLK3				Bioorg Med Chem Lett 20: 6489-94 (2010) Article DOI: 10.1016/j.bmcl.2010.09.060 BindingDB Entry DOI: 10.7270/Q2VT1T39
					More data for this Ligand-Target Pair