BDBM85215 CAS_136623-01-3::NS102::NSC_5311098

SMILES: ONC1=c2ccc3C(CCCc3c2=NC1=O)[N+]([O-])=O

InChI Key: InChIKey=FQJXCCSUWTUFRG-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 85215   

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
GRIA3 (Homo sapiens (Human))	BDBM85215 (CAS_136623-01-3 | NS102 | NSC_5311098) Show SMILES ONC1=c2ccc3C(CCCc3c2=NC1=O)[N+]([O-])=O |c:2,14| Show InChI InChI=1S/C12H11N3O4/c16-12-11(14-17)8-5-4-6-7(10(8)13-12)2-1-3-9(6)15(18)19/h4-5,9,17H,1-3H2,(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
GRIA3 (RAT)	BDBM85215 (CAS_136623-01-3 | NS102 | NSC_5311098) Show SMILES ONC1=c2ccc3C(CCCc3c2=NC1=O)[N+]([O-])=O |c:2,14| Show InChI InChI=1S/C12H11N3O4/c16-12-11(14-17)8-5-4-6-7(10(8)13-12)2-1-3-9(6)15(18)19/h4-5,9,17H,1-3H2,(H,13,14,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair
GRIA3 (Homo sapiens (Human))	BDBM85215 (CAS_136623-01-3 | NS102 | NSC_5311098) Show SMILES ONC1=c2ccc3C(CCCc3c2=NC1=O)[N+]([O-])=O |c:2,14| Show InChI InChI=1S/C12H11N3O4/c16-12-11(14-17)8-5-4-6-7(10(8)13-12)2-1-3-9(6)15(18)19/h4-5,9,17H,1-3H2,(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 358-70 (1998) BindingDB Entry DOI: 10.7270/Q23R0RDM
					More data for this Ligand-Target Pair