null

SMILES: CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1

InChI Key: InChIKey=CGEGCAFAQJHNHO-FQEVSTJZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 245956   

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
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM245956 (US9433622, DMX- 28) Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C27H28F2N8O/c1-36-9-7-22(8-10-36)33-26(38)17-2-4-21(5-3-17)34-27-32-15-23(29)24(35-27)19-12-18(13-30)25(31-14-19)37-11-6-20(28)16-37/h2-5,12,14-15,20,22H,6-11,16H2,1H3,(H,33,38)(H,32,34,35)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245956 (US9433622, DMX- 28) Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C27H28F2N8O/c1-36-9-7-22(8-10-36)33-26(38)17-2-4-21(5-3-17)34-27-32-15-23(29)24(35-27)19-12-18(13-30)25(31-14-19)37-11-6-20(28)16-37/h2-5,12,14-15,20,22H,6-11,16H2,1H3,(H,33,38)(H,32,34,35)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair