BDBM50395923 CHEMBL2164550

SMILES: Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N

InChI Key: InChIKey=RBSPCALDSNXWEP-UHFFFAOYSA-N

Data: 4 IC50  5 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 9 hits for monomerid = 50395923   

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 (Rattus norvegicus (Rat))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to mGluR5 in Sprague-Dawley rat striatum after 60 mins by autoradiographic analysis				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 20 nM MPEP				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 10 nM MPEP				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in absence of MPEP				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of glutamate-stimulated ...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by IonWorks assay				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellu...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.25	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST by scintillation counting				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair