null

SMILES: C1CC(Nc2cccnc2)C=C(C1)C#Cc1ccccn1

InChI Key: InChIKey=WRGWVZSYGZNHDX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50172137   

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 5 (Rattus norvegicus (Rat))	BDBM50172137 (CHEMBL197212 | Pyridin-3-yl-(3-pyridin-2-ylethynyl...) Show SMILES C1CC(Nc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C18H17N3/c1-2-12-20-16(6-1)10-9-15-5-3-7-17(13-15)21-18-8-4-11-19-14-18/h1-2,4,6,8,11-14,17,21H,3,5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50172137 (CHEMBL197212 | Pyridin-3-yl-(3-pyridin-2-ylethynyl...) Show SMILES C1CC(Nc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C18H17N3/c1-2-12-20-16(6-1)10-9-15-5-3-7-17(13-15)21-18-8-4-11-19-14-18/h1-2,4,6,8,11-14,17,21H,3,5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against CYP1A2 using recombinant CYP450 under Gentest-based protocol				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172137 (CHEMBL197212 | Pyridin-3-yl-(3-pyridin-2-ylethynyl...) Show SMILES C1CC(Nc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C18H17N3/c1-2-12-20-16(6-1)10-9-15-5-3-7-17(13-15)21-18-8-4-11-19-14-18/h1-2,4,6,8,11-14,17,21H,3,5,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair