Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 309.3 BDBM50021613

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

Found 3 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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50021613 (Atolaphyllidine) Show SMILES CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24| Show InChI InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP				J Nat Prod 77: 1117-22 (2014) Article DOI: 10.1021/np400856h BindingDB Entry DOI: 10.7270/Q2765GW6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50021613 (Atolaphyllidine) Show SMILES CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24| Show InChI InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP				J Nat Prod 77: 1117-22 (2014) Article DOI: 10.1021/np400856h BindingDB Entry DOI: 10.7270/Q2765GW6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50021613 (Atolaphyllidine) Show SMILES CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24| Show InChI InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP				J Nat Prod 77: 1117-22 (2014) Article DOI: 10.1021/np400856h BindingDB Entry DOI: 10.7270/Q2765GW6
					More data for this Ligand-Target Pair