BDBM50043650 CHEMBL3355535

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1

InChI Key: InChIKey=QUTZVOUNNKGPFD-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50043650   

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 WEE1 (Homo sapiens (Human))	BDBM50043650 (CHEMBL3355535) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1 |(26.63,-18.59,;26.64,-17.05,;25.31,-16.27,;25.31,-14.74,;26.65,-13.97,;27.99,-14.74,;27.98,-16.28,;26.65,-12.43,;25.32,-11.66,;25.32,-10.13,;26.66,-9.36,;26.66,-7.82,;25.33,-7.05,;25.33,-5.5,;24,-4.73,;22.67,-5.5,;22.66,-7.04,;23.99,-7.81,;21.34,-7.8,;21.01,-9.29,;19.49,-9.44,;18.88,-8.05,;20.02,-7.04,;20.02,-5.49,;18.68,-4.72,;17.34,-5.49,;17.34,-7.03,;16.01,-4.72,;16.01,-3.17,;17.34,-2.41,;18.68,-3.17,;20.01,-2.4,;21.34,-4.72,;21.34,-3.18,;27.99,-10.13,;27.99,-11.66,)| Show InChI InChI=1S/C25H22ClFN8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31)	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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WEE1 (Homo sapiens (Human))	BDBM50043650 (CHEMBL3355535) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1 |(26.63,-18.59,;26.64,-17.05,;25.31,-16.27,;25.31,-14.74,;26.65,-13.97,;27.99,-14.74,;27.98,-16.28,;26.65,-12.43,;25.32,-11.66,;25.32,-10.13,;26.66,-9.36,;26.66,-7.82,;25.33,-7.05,;25.33,-5.5,;24,-4.73,;22.67,-5.5,;22.66,-7.04,;23.99,-7.81,;21.34,-7.8,;21.01,-9.29,;19.49,-9.44,;18.88,-8.05,;20.02,-7.04,;20.02,-5.49,;18.68,-4.72,;17.34,-5.49,;17.34,-7.03,;16.01,-4.72,;16.01,-3.17,;17.34,-2.41,;18.68,-3.17,;20.01,-2.4,;21.34,-4.72,;21.34,-3.18,;27.99,-10.13,;27.99,-11.66,)| Show InChI InChI=1S/C25H22ClFN8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31)	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	n/a	n/a	170	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of human Weel1 in human NCI-H1299 cells assessed as phosphorylation of Cdk1 after overnight incubation by ELISA PD assay				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair