Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 358.4 BDBM91741Purchase

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 2 (Homo sapiens (Human))	BDBM91741 (CS119) Show SMILES CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1 Show InChI InChI=1S/C17H18N4O3S/c1-3-21-16(14-9-6-10-24-14)19-20-17(21)25-11-15(22)18-12-7-4-5-8-13(12)23-2/h4-10H,3,11H2,1-2H3,(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM91741 (CS119) Show SMILES CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1 Show InChI InChI=1S/C17H18N4O3S/c1-3-21-16(14-9-6-10-24-14)19-20-17(21)25-11-15(22)18-12-7-4-5-8-13(12)23-2/h4-10H,3,11H2,1-2H3,(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method1				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM91741 (CS119) Show SMILES CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1 Show InChI InChI=1S/C17H18N4O3S/c1-3-21-16(14-9-6-10-24-14)19-20-17(21)25-11-15(22)18-12-7-4-5-8-13(12)23-2/h4-10H,3,11H2,1-2H3,(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method1				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM91741 (CS119) Show SMILES CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1 Show InChI InChI=1S/C17H18N4O3S/c1-3-21-16(14-9-6-10-24-14)19-20-17(21)25-11-15(22)18-12-7-4-5-8-13(12)23-2/h4-10H,3,11H2,1-2H3,(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair