BDBM159038 US9034866, 513

SMILES: C[C@@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@](C)(O)c1cc(C)on1

InChI Key: InChIKey=DDCUSIPBQBSZFH-GTJPDFRWSA-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 = 159038   

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))	BDBM159038 (US9034866, 513) Show SMILES C[C@@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@](C)(O)c1cc(C)on1 |r| Show InChI InChI=1S/C21H20N4O4/c1-12-11-28-18-5-4-14(6-7-21(3,27)19-8-13(2)29-24-19)9-17(18)25-16(12)10-15(23-25)20(22)26/h4-5,8-10,12,27H,11H2,1-3H3,(H2,22,26)/t12-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	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))	BDBM159038 (US9034866, 513) Show SMILES C[C@@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@](C)(O)c1cc(C)on1 |r| Show InChI InChI=1S/C21H20N4O4/c1-12-11-28-18-5-4-14(6-7-21(3,27)19-8-13(2)29-24-19)9-17(18)25-16(12)10-15(23-25)20(22)26/h4-5,8-10,12,27H,11H2,1-3H3,(H2,22,26)/t12-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.20	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