BDBM50043647 CHEMBL3355532

SMILES: CC(=O)N1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1

InChI Key: InChIKey=WJRROINZDMTREW-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 = 50043647   

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))	BDBM50043647 (CHEMBL3355532) Show SMILES CC(=O)N1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1 |(69.82,-47.04,;69.82,-45.5,;71.16,-44.73,;68.49,-44.72,;68.5,-43.18,;67.17,-42.41,;67.17,-40.88,;65.84,-40.11,;65.84,-38.57,;64.51,-37.8,;64.51,-36.25,;63.18,-35.48,;61.85,-36.25,;61.84,-37.79,;63.17,-38.56,;60.51,-38.55,;60.19,-40.05,;58.67,-40.2,;58.06,-38.8,;59.19,-37.78,;59.19,-36.24,;57.86,-35.47,;56.52,-36.24,;55.19,-35.47,;55.19,-33.93,;56.52,-33.16,;57.85,-33.92,;59.18,-33.14,;60.52,-35.47,;60.52,-33.93,;64.5,-40.87,;64.49,-42.41,;65.83,-43.18,;65.82,-44.71,;64.73,-45.79,;64.33,-44.3,;67.15,-45.49,)| Show InChI InChI=1S/C27H22ClN7O2/c1-16(36)33-14-17-12-18(6-7-20(17)27(15-33)8-9-27)31-25-30-13-19-23(32-25)34-11-10-29-26(34)35(24(19)37)22-5-3-2-4-21(22)28/h2-7,10-13H,8-9,14-15H2,1H3,(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 Patents Similars	Article PubMed	5.40	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))	BDBM50043647 (CHEMBL3355532) Show SMILES CC(=O)N1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1 |(69.82,-47.04,;69.82,-45.5,;71.16,-44.73,;68.49,-44.72,;68.5,-43.18,;67.17,-42.41,;67.17,-40.88,;65.84,-40.11,;65.84,-38.57,;64.51,-37.8,;64.51,-36.25,;63.18,-35.48,;61.85,-36.25,;61.84,-37.79,;63.17,-38.56,;60.51,-38.55,;60.19,-40.05,;58.67,-40.2,;58.06,-38.8,;59.19,-37.78,;59.19,-36.24,;57.86,-35.47,;56.52,-36.24,;55.19,-35.47,;55.19,-33.93,;56.52,-33.16,;57.85,-33.92,;59.18,-33.14,;60.52,-35.47,;60.52,-33.93,;64.5,-40.87,;64.49,-42.41,;65.83,-43.18,;65.82,-44.71,;64.73,-45.79,;64.33,-44.3,;67.15,-45.49,)| Show InChI InChI=1S/C27H22ClN7O2/c1-16(36)33-14-17-12-18(6-7-20(17)27(15-33)8-9-27)31-25-30-13-19-23(32-25)34-11-10-29-26(34)35(24(19)37)22-5-3-2-4-21(22)28/h2-7,10-13H,8-9,14-15H2,1H3,(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 Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	620	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