BDBM158542 US9034866, 17

SMILES: NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CCC1

InChI Key: InChIKey=NBQFUXCJBIMUNM-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 158542   

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
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158542 (US9034866, 17) Show SMILES NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CCC1 Show InChI InChI=1S/C18H16FN3O3/c19-13-9-15-12(8-11(13)2-5-18(24)3-1-4-18)17-21-14(16(20)23)10-22(17)6-7-25-15/h8-10,24H,1,3-4,6-7H2,(H2,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...				US Patent US9034866 (2015) BindingDB Entry DOI: 10.7270/Q2GX49B0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158542 (US9034866, 17) Show SMILES NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CCC1 Show InChI InChI=1S/C18H16FN3O3/c19-13-9-15-12(8-11(13)2-5-18(24)3-1-4-18)17-21-14(16(20)23)10-22(17)6-7-25-15/h8-10,24H,1,3-4,6-7H2,(H2,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair