BDBM50529959 CHEMBL4551786

SMILES: CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1

InChI Key: InChIKey=NDVDBJIRXMBDOD-VGOFMYFVSA-N

Data: 4 KI  24 IC50  2 EC50

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 30 hits for monomerid = 50529959   

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))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	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
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	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
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (RAT)	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	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
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (RAT)	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	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
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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 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
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Agonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as increased in calcium activated photo protein aequorin level...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 CYP2C19				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.52E+3	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 CYP1A2 using 3-cyano-7-ethoxycoumarin as substrate preincubated for 10 mins followed by substrate addition and measur...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
L-type calcium channel alpha-1c/beta-2/alpha2delta-1 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of Cav1.2 (unknown origin)				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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 CYP2C9				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 CYP2C19				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Antagonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in calcium activated photo protein aequorin le...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 CYP2B6				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
L-type calcium channel alpha-1c/beta-2/alpha2delta-1 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of Cav1.2 (unknown origin)				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of NaV1.5 (unknown origin)				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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 CYP2C9				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 CYP2C8				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Antagonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in calcium activated photo protein aequorin le...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Inhibition of NaV1.5 (unknown origin)				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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 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
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.52E+3	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 CYP1A2 using 3-cyano-7-ethoxycoumarin as substrate preincubated for 10 mins followed by substrate addition and measur...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in quisqualate-induced Ca2+ mobiliz...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 CYP2C8				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in quisqualate-induced Ca2+ mobiliz...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Agonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as increased in calcium activated photo protein aequorin level...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50529959 (CHEMBL4551786) Show SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H18N2O2/c1-3-20-16(19)18-11-10-14(12-18)7-5-9-15-8-4-6-13(2)17-15/h4,6-8H,3,10-12H2,1-2H3/b14-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 CYP2B6				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226
					More data for this Ligand-Target Pair