BDBM91760 CS189

SMILES: COc1ccc(NC(=O)CN2CCOCC2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=GYIAJQVUZQRYJH-UHFFFAOYSA-N

Data: 4 Kd

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 4 hits for monomerid = 91760   

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))	BDBM91760 (CS189) Show SMILES COc1ccc(NC(=O)CN2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H17N3O5/c1-20-10-2-3-11(12(8-10)16(18)19)14-13(17)9-15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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))	BDBM91760 (CS189) Show SMILES COc1ccc(NC(=O)CN2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H17N3O5/c1-20-10-2-3-11(12(8-10)16(18)19)14-13(17)9-15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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))	BDBM91760 (CS189) Show SMILES COc1ccc(NC(=O)CN2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H17N3O5/c1-20-10-2-3-11(12(8-10)16(18)19)14-13(17)9-15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM91760 (CS189) Show SMILES COc1ccc(NC(=O)CN2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H17N3O5/c1-20-10-2-3-11(12(8-10)16(18)19)14-13(17)9-15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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