BDBM245981 US9433622, DMX- 78

SMILES: C[C@H]1COCCN1Cc1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)ccn1

InChI Key: InChIKey=LFLBSZISFJPBKA-PXNSSMCTSA-N

Data: 2 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 2 hits for monomerid = 245981   

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
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM245981 (US9433622, DMX- 78) Show SMILES C[C@H]1COCCN1Cc1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)ccn1 |r| Show InChI InChI=1S/C25H27FN8O/c1-17-16-35-9-8-33(17)15-22-11-21(2-5-28-22)31-25-29-6-3-23(32-25)19-10-18(12-27)24(30-13-19)34-7-4-20(26)14-34/h2-3,5-6,10-11,13,17,20H,4,7-9,14-16H2,1H3,(H,28,29,31,32)/t17-,20-/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))	BDBM245981 (US9433622, DMX- 78) Show SMILES C[C@H]1COCCN1Cc1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)ccn1 |r| Show InChI InChI=1S/C25H27FN8O/c1-17-16-35-9-8-33(17)15-22-11-21(2-5-28-22)31-25-29-6-3-23(32-25)19-10-18(12-27)24(30-13-19)34-7-4-20(26)14-34/h2-3,5-6,10-11,13,17,20H,4,7-9,14-16H2,1H3,(H,28,29,31,32)/t17-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	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