BDBM144137 US8969335, A74

SMILES: N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1

InChI Key: InChIKey=LYMQARVHTYDQHO-UHFFFAOYSA-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 = 144137   

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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144137 (US8969335, A74) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1 Show InChI InChI=1S/C27H29N5O2/c28-18-23-15-20(1-2-25(23)34-24-7-13-33-14-8-24)22-6-12-31-27(17-22)32-26-16-21(5-11-30-26)19-3-9-29-10-4-19/h1-2,5-6,11-12,15-17,19,24,29H,3-4,7-10,13-14H2,(H,30,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144137 (US8969335, A74) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1 Show InChI InChI=1S/C27H29N5O2/c28-18-23-15-20(1-2-25(23)34-24-7-13-33-14-8-24)22-6-12-31-27(17-22)32-26-16-21(5-11-30-26)19-3-9-29-10-4-19/h1-2,5-6,11-12,15-17,19,24,29H,3-4,7-10,13-14H2,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair