Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 400.4 BDBM50378821

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

Found 2 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))	BDBM50378821 (CHEMBL1241661) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCc2ccccc2)c1N=O Show InChI InChI=1S/C17H16N6O4S/c18-15-14(23-24)16(27-10-11-4-2-1-3-5-11)22-17(21-15)20-12-6-8-13(9-7-12)28(19,25)26/h1-9H,10H2,(H2,19,25,26)(H3,18,20,21,22)	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK2				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50378821 (CHEMBL1241661) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCc2ccccc2)c1N=O Show InChI InChI=1S/C17H16N6O4S/c18-15-14(23-24)16(27-10-11-4-2-1-3-5-11)22-17(21-15)20-12-6-8-13(9-7-12)28(19,25)26/h1-9H,10H2,(H2,19,25,26)(H3,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK1				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair