BDBM91815 CS80

SMILES: OCCNc1nc2ccccc2n1CC(=O)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=ZXAWCIYGRGUMMP-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 = 91815   

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))	BDBM91815 (CS80) Show SMILES OCCNc1nc2ccccc2n1CC(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H16N4O4/c22-9-8-18-17-19-14-6-1-2-7-15(14)20(17)11-16(23)12-4-3-5-13(10-12)21(24)25/h1-7,10,22H,8-9,11H2,(H,18,19)	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))	BDBM91815 (CS80) Show SMILES OCCNc1nc2ccccc2n1CC(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H16N4O4/c22-9-8-18-17-19-14-6-1-2-7-15(14)20(17)11-16(23)12-4-3-5-13(10-12)21(24)25/h1-7,10,22H,8-9,11H2,(H,18,19)	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))	BDBM91815 (CS80) Show SMILES OCCNc1nc2ccccc2n1CC(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H16N4O4/c22-9-8-18-17-19-14-6-1-2-7-15(14)20(17)11-16(23)12-4-3-5-13(10-12)21(24)25/h1-7,10,22H,8-9,11H2,(H,18,19)	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))	BDBM91815 (CS80) Show SMILES OCCNc1nc2ccccc2n1CC(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H16N4O4/c22-9-8-18-17-19-14-6-1-2-7-15(14)20(17)11-16(23)12-4-3-5-13(10-12)21(24)25/h1-7,10,22H,8-9,11H2,(H,18,19)	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