BDBM50130710 4,6-Dihydroxy-7-(1-methyl-piperidin-4-yl)-2-(4-nitro-benzylidene)-benzofuran-3-one::CHEMBL45477

SMILES: CN1CCC(CC1)c1c(O)cc(O)c2c([O-])c([CH+]c3ccc(cc3)[N+]([O-])=O)oc12

InChI Key: InChIKey=JWNKMGFLUYRIPK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50130710   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130710 (4,6-Dihydroxy-7-(1-methyl-piperidin-4-yl)-2-(4-nit...) Show SMILES CN1CCC(CC1)c1c(O)cc(O)c2c([O-])c([CH+]c3ccc(cc3)[N+]([O-])=O)oc12 Show InChI InChI=1S/C21H20N2O6/c1-22-8-6-13(7-9-22)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)23(27)28/h2-5,10-11,13H,6-9H2,1H3,(H2-,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)				J Med Chem 47: 2534-49 (2004) Article DOI: 10.1021/jm0304358 BindingDB Entry DOI: 10.7270/Q2KH0P3P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130710 (4,6-Dihydroxy-7-(1-methyl-piperidin-4-yl)-2-(4-nit...) Show SMILES CN1CCC(CC1)c1c(O)cc(O)c2c([O-])c([CH+]c3ccc(cc3)[N+]([O-])=O)oc12 Show InChI InChI=1S/C21H20N2O6/c1-22-8-6-13(7-9-22)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)23(27)28/h2-5,10-11,13H,6-9H2,1H3,(H2-,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 2 (CDK2)				J Med Chem 46: 3314-25 (2003) Article DOI: 10.1021/jm0205043 BindingDB Entry DOI: 10.7270/Q2RB7406
					More data for this Ligand-Target Pair