BDBM50143062 CHEMBL3758435

SMILES: Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O

InChI Key: InChIKey=YXYJPNKWKVAIHX-UHFFFAOYSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 50143062   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50143062 (CHEMBL3758435) Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 26: 751-6 (2016) BindingDB Entry DOI: 10.7270/Q261124T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50143062 (CHEMBL3758435) Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 26: 751-6 (2016) BindingDB Entry DOI: 10.7270/Q261124T
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50143062 (CHEMBL3758435) Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 26: 751-6 (2016) BindingDB Entry DOI: 10.7270/Q261124T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50143062 (CHEMBL3758435) Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization				Bioorg Med Chem Lett 26: 751-6 (2016) BindingDB Entry DOI: 10.7270/Q261124T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50143062 (CHEMBL3758435) Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu5 receptor by cell based calcium mobilization				Bioorg Med Chem Lett 26: 751-6 (2016) BindingDB Entry DOI: 10.7270/Q261124T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50143062 (CHEMBL3758435) Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu1 receptor by cell based calcium mobilization				Bioorg Med Chem Lett 26: 751-6 (2016) BindingDB Entry DOI: 10.7270/Q261124T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50143062 (CHEMBL3758435) Show SMILES Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O Show InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 26: 751-6 (2016) BindingDB Entry DOI: 10.7270/Q261124T
					More data for this Ligand-Target Pair