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SMILES: [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

InChI Key: InChIKey=DUDLUGRLTVPTNX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50529966   

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 (Homo sapiens (Human))	BDBM50529966 (CHEMBL4443478) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1 Show InChI InChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50529966 (CHEMBL4443478) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1 Show InChI InChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50529966 (CHEMBL4443478) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1 Show InChI InChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat mGlu1 receptor expressed in CHO-TREx cell membranes after 30 mins by liquid scintillation spectrometric analysis				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50529966 (CHEMBL4443478) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1 Show InChI InChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat mGlu1 receptor expressed in CHO-TREx cell membranes after 30 mins by liquid scintillation spectrometric analysis				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50529966 (CHEMBL4443478) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1 Show InChI InChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 using 3-[2-(N,N-diethylamino)ethyl]-7-methoxy-4-methylcoumarin as substrate preincubated for 10 mins followed ...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529966 (CHEMBL4443478) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1 Show InChI InChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate preincubated for 10 mins followed by substrate addition...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50529966 (CHEMBL4443478) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1 Show InChI InChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 using 3-[2-(N,N-diethylamino)ethyl]-7-methoxy-4-methylcoumarin as substrate preincubated for 10 mins followed ...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529966 (CHEMBL4443478) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1 Show InChI InChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate preincubated for 10 mins followed by substrate addition...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair