BDBM50177051 3-azepan-1-yl-9-(dimethylnitroryl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one::9-(N,N-dimethyl-N-oxyamino)-3-(N-hexamethyleneiminyl)-3H-5-thia-1,3,6-triaza-fluoren-4-one::CHEMBL386408

SMILES: C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12

InChI Key: InChIKey=AKXCOQICNDOOTF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50177051   

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
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50177051 (3-azepan-1-yl-9-(dimethylnitroryl)pyrido[3',2':4,5...) Show SMILES C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12 Show InChI InChI=1S/C17H21N5O2S/c1-22(2,24)12-7-8-18-16-13(12)14-15(25-16)17(23)21(11-19-14)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (RAT)	BDBM50177051 (3-azepan-1-yl-9-(dimethylnitroryl)pyrido[3',2':4,5...) Show SMILES C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12 Show InChI InChI=1S/C17H21N5O2S/c1-22(2,24)12-7-8-18-16-13(12)14-15(25-16)17(23)21(11-19-14)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1 expressed in 1321N1 cells				Bioorg Med Chem Lett 16: 4936-40 (2006) Article DOI: 10.1016/j.bmcl.2006.06.053 BindingDB Entry DOI: 10.7270/Q2C24W2W
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50177051 (3-azepan-1-yl-9-(dimethylnitroryl)pyrido[3',2':4,5...) Show SMILES C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12 Show InChI InChI=1S/C17H21N5O2S/c1-22(2,24)12-7-8-18-16-13(12)14-15(25-16)17(23)21(11-19-14)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR5 expressed in 1321N1 cells				Bioorg Med Chem Lett 16: 4936-40 (2006) Article DOI: 10.1016/j.bmcl.2006.06.053 BindingDB Entry DOI: 10.7270/Q2C24W2W
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50177051 (3-azepan-1-yl-9-(dimethylnitroryl)pyrido[3',2':4,5...) Show SMILES C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12 Show InChI InChI=1S/C17H21N5O2S/c1-22(2,24)12-7-8-18-16-13(12)14-15(25-16)17(23)21(11-19-14)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair