Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.8 BDBM50245525

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245525 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245525 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50245525 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50245525 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by Western blot				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50245525 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair