BDBM50172127 CHEMBL370879::Naphthalen-2-yl-(4-pyridin-2-ylethynyl-cyclohex-3-enyl)-amine

SMILES: C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1

InChI Key: InChIKey=GXNDHQVYOXLGFK-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50172127   

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))	BDBM50172127 (CHEMBL370879 | Naphthalen-2-yl-(4-pyridin-2-ylethy...) Show SMILES C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1 |c:2| Show InChI InChI=1S/C23H20N2/c1-2-6-20-17-23(15-11-19(20)5-1)25-22-13-9-18(10-14-22)8-12-21-7-3-4-16-24-21/h1-7,9,11,15-17,22,25H,10,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	304	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
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172127 (CHEMBL370879 | Naphthalen-2-yl-(4-pyridin-2-ylethy...) Show SMILES C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1 |c:2| Show InChI InChI=1S/C23H20N2/c1-2-6-20-17-23(15-11-19(20)5-1)25-22-13-9-18(10-14-22)8-12-21-7-3-4-16-24-21/h1-7,9,11,15-17,22,25H,10,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	306	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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50172127 (CHEMBL370879 | Naphthalen-2-yl-(4-pyridin-2-ylethy...) Show SMILES C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1 |c:2| Show InChI InChI=1S/C23H20N2/c1-2-6-20-17-23(15-11-19(20)5-1)25-22-13-9-18(10-14-22)8-12-21-7-3-4-16-24-21/h1-7,9,11,15-17,22,25H,10,13-14H2	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	>2.00E+4	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