BDBM50202664 CHEMBL3925878::US10730889, Example 408

SMILES: CC(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1

InChI Key: InChIKey=XREXUEYFLJRYOD-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50202664   

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 2C9 (Homo sapiens (Human))	BDBM50202664 (CHEMBL3925878 | US10730889, Example 408) Show SMILES CC(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H30N4O2/c1-15(2)9-19(26)24-7-4-21(5-8-24)10-18(21)12-23-20(27)25-13-16-3-6-22-11-17(16)14-25/h3,6,11,15,18H,4-5,7-10,12-14H2,1-2H3,(H,23,27)	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 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
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202664 (CHEMBL3925878 | US10730889, Example 408) Show SMILES CC(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H30N4O2/c1-15(2)9-19(26)24-7-4-21(5-8-24)10-18(21)12-23-20(27)25-13-16-3-6-22-11-17(16)14-25/h3,6,11,15,18H,4-5,7-10,12-14H2,1-2H3,(H,23,27)	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	3.76	n/a	n/a	n/a	n/a	n/a	n/a
FORMA TM, LLC; Genentech, Inc. US Patent					Assay Description NAMPT Protein Purification. Recombinant His-tagged NAMPT was produced in E. coli cells, purified over a Ni column, and further purified over a size-e...				US Patent US10730889 (2020)
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202664 (CHEMBL3925878 | US10730889, Example 408) Show SMILES CC(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H30N4O2/c1-15(2)9-19(26)24-7-4-21(5-8-24)10-18(21)12-23-20(27)25-13-16-3-6-22-11-17(16)14-25/h3,6,11,15,18H,4-5,7-10,12-14H2,1-2H3,(H,23,27)	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	13	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
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50202664 (CHEMBL3925878 | US10730889, Example 408) Show SMILES CC(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H30N4O2/c1-15(2)9-19(26)24-7-4-21(5-8-24)10-18(21)12-23-20(27)25-13-16-3-6-22-11-17(16)14-25/h3,6,11,15,18H,4-5,7-10,12-14H2,1-2H3,(H,23,27)	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	4.40	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
					More data for this Ligand-Target Pair