Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.4 BDBM50021615

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

Found 4 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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50021615 (CHEMBL3297830) Show SMILES Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28| Show InChI InChI=1S/C24H23NO5/c1-23(2)10-9-13-19-17(20(28)12-7-6-8-15(26)18(12)25(19)5)22-14(21(13)29-23)11-16(27)24(3,4)30-22/h6-11,26-27H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50021615 (CHEMBL3297830) Show SMILES Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28| Show InChI InChI=1S/C24H23NO5/c1-23(2)10-9-13-19-17(20(28)12-7-6-8-15(26)18(12)25(19)5)22-14(21(13)29-23)11-16(27)24(3,4)30-22/h6-11,26-27H,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 CLK1 (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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50021615 (CHEMBL3297830) Show SMILES Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28| Show InChI InChI=1S/C24H23NO5/c1-23(2)10-9-13-19-17(20(28)12-7-6-8-15(26)18(12)25(19)5)22-14(21(13)29-23)11-16(27)24(3,4)30-22/h6-11,26-27H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 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 5 (Homo sapiens (Human))	BDBM50021615 (CHEMBL3297830) Show SMILES Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28| Show InChI InChI=1S/C24H23NO5/c1-23(2)10-9-13-19-17(20(28)12-7-6-8-15(26)18(12)25(19)5)22-14(21(13)29-23)11-16(27)24(3,4)30-22/h6-11,26-27H,1-5H3	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	>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