BDBM50043633 CHEMBL3355518

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1

InChI Key: InChIKey=IICGNJDSNUEEHR-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 = 50043633   

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))	BDBM50043633 (CHEMBL3355518) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1 |(12.52,-17.19,;12.53,-15.65,;11.2,-14.87,;11.21,-13.33,;12.54,-12.58,;13.88,-13.34,;13.87,-14.88,;12.54,-11.04,;11.21,-10.26,;11.22,-8.72,;12.55,-7.96,;12.56,-6.42,;11.23,-5.65,;11.23,-4.1,;9.9,-3.33,;8.57,-4.09,;8.56,-5.64,;9.89,-6.41,;7.23,-6.4,;6.9,-7.89,;5.39,-8.05,;4.77,-6.65,;5.91,-5.63,;5.91,-4.08,;4.57,-3.32,;3.24,-4.09,;1.9,-3.32,;1.9,-1.77,;3.23,-1,;4.57,-1.77,;5.9,-.99,;7.23,-3.32,;7.23,-1.78,;13.88,-8.72,;13.88,-10.26,)| Show InChI InChI=1S/C25H23ClN8O/c1-31-12-14-32(15-13-31)18-8-6-17(7-9-18)29-24-28-16-19-22(30-24)33-11-10-27-25(33)34(23(19)35)21-5-3-2-4-20(21)26/h2-11,16H,12-15H2,1H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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))	BDBM50043633 (CHEMBL3355518) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1 |(12.52,-17.19,;12.53,-15.65,;11.2,-14.87,;11.21,-13.33,;12.54,-12.58,;13.88,-13.34,;13.87,-14.88,;12.54,-11.04,;11.21,-10.26,;11.22,-8.72,;12.55,-7.96,;12.56,-6.42,;11.23,-5.65,;11.23,-4.1,;9.9,-3.33,;8.57,-4.09,;8.56,-5.64,;9.89,-6.41,;7.23,-6.4,;6.9,-7.89,;5.39,-8.05,;4.77,-6.65,;5.91,-5.63,;5.91,-4.08,;4.57,-3.32,;3.24,-4.09,;1.9,-3.32,;1.9,-1.77,;3.23,-1,;4.57,-1.77,;5.9,-.99,;7.23,-3.32,;7.23,-1.78,;13.88,-8.72,;13.88,-10.26,)| Show InChI InChI=1S/C25H23ClN8O/c1-31-12-14-32(15-13-31)18-8-6-17(7-9-18)29-24-28-16-19-22(30-24)33-11-10-27-25(33)34(23(19)35)21-5-3-2-4-20(21)26/h2-11,16H,12-15H2,1H3,(H,28,29,30)	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	n/a	n/a	370	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