BindingDB PrimarySearch

BDBM50060813 CHEMBL3394734::US9458172, 5

SMILES: Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1

InChI Key: InChIKey=GUOKRDAMSCOAIA-UHFFFAOYSA-N

Data: 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50060813
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description The NAMPT Enzymatic Reaction. The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) i...				US Patent US9458172 (2016) BindingDB Entry DOI: 10.7270/Q2TB15V5
TBA US Patent					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure...				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4 in human liver microsomes using midazolam as substrate				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4 in human liver microsomes using testosterone as substrate				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP2C19 in human liver microsomes				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis				J Med Chem 59: 8345-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00697 BindingDB Entry DOI: 10.7270/Q2KW5J0C
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50060813 (CHEMBL3394734 \| US9458172, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Reversible inhibition of CYP1A2 in human liver microsomes				Bioorg Med Chem Lett 25: 529-41 (2015) Article DOI: 10.1016/j.bmcl.2014.12.026 BindingDB Entry DOI: 10.7270/Q2736SK7
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair