BDBM84531 Alsterpaullone derivative, 5

SMILES: OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1

InChI Key: InChIKey=WYEXOAKSTKXOBU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 84531   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM84531 (Alsterpaullone derivative, 5) Show SMILES OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H15N3O5/c23-17-9-13-12-8-11(22(26)27)3-5-15(12)21-19(13)14-7-10(2-6-18(24)25)1-4-16(14)20-17/h1,3-5,7-8,21H,2,6,9H2,(H,20,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM84531 (Alsterpaullone derivative, 5) Show SMILES OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H15N3O5/c23-17-9-13-12-8-11(22(26)27)3-5-15(12)21-19(13)14-7-10(2-6-18(24)25)1-4-16(14)20-17/h1,3-5,7-8,21H,2,6,9H2,(H,20,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM84531 (Alsterpaullone derivative, 5) Show SMILES OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H15N3O5/c23-17-9-13-12-8-11(22(26)27)3-5-15(12)21-19(13)14-7-10(2-6-18(24)25)1-4-16(14)20-17/h1,3-5,7-8,21H,2,6,9H2,(H,20,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair