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SMILES: Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1

InChI Key: InChIKey=HQXPCHZUQMTZKU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50379684   

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
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50379684 (CHEMBL2010883) Show SMILES Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1 Show InChI InChI=1S/C18H18FN3/c19-15-8-9-16-17(14(15)12-22-10-4-5-11-22)21-18(20-16)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-Ro256981 from human NR2B receptor				Bioorg Med Chem Lett 22: 2620-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.108 BindingDB Entry DOI: 10.7270/Q2KD1ZX3
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50379684 (CHEMBL2010883) Show SMILES Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1 Show InChI InChI=1S/C18H18FN3/c19-15-8-9-16-17(14(15)12-22-10-4-5-11-22)21-18(20-16)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,20,21)	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	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 22: 2620-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.108 BindingDB Entry DOI: 10.7270/Q2KD1ZX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50379684 (CHEMBL2010883) Show SMILES Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1 Show InChI InChI=1S/C18H18FN3/c19-15-8-9-16-17(14(15)12-22-10-4-5-11-22)21-18(20-16)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,20,21)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 22: 2620-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.108 BindingDB Entry DOI: 10.7270/Q2KD1ZX3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50379684 (CHEMBL2010883) Show SMILES Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1 Show InChI InChI=1S/C18H18FN3/c19-15-8-9-16-17(14(15)12-22-10-4-5-11-22)21-18(20-16)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,20,21)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 22: 2620-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.108 BindingDB Entry DOI: 10.7270/Q2KD1ZX3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379684 (CHEMBL2010883) Show SMILES Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1 Show InChI InChI=1S/C18H18FN3/c19-15-8-9-16-17(14(15)12-22-10-4-5-11-22)21-18(20-16)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 22: 2620-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.108 BindingDB Entry DOI: 10.7270/Q2KD1ZX3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50379684 (CHEMBL2010883) Show SMILES Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1 Show InChI InChI=1S/C18H18FN3/c19-15-8-9-16-17(14(15)12-22-10-4-5-11-22)21-18(20-16)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,20,21)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 22: 2620-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.108 BindingDB Entry DOI: 10.7270/Q2KD1ZX3
					More data for this Ligand-Target Pair