BDBM276949 US10072001, Example 125::US10259811, Example 125

SMILES: COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N

InChI Key: InChIKey=XZIIRCPKAFVFHW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 276949   

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))	BDBM276949 (US10072001, Example 125 | US10259811, Example 125) Show SMILES COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-10-12-41-13-11-36)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-8-37(9-7-23)29(39)18-38/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.62	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276949 (US10072001, Example 125 | US10259811, Example 125) Show SMILES COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-10-12-41-13-11-36)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-8-37(9-7-23)29(39)18-38/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				Bioorg Med Chem 16: 4272-85 (2008) BindingDB Entry DOI: 10.7270/Q2ZG6VKC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM276949 (US10072001, Example 125 | US10259811, Example 125) Show SMILES COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-10-12-41-13-11-36)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-8-37(9-7-23)29(39)18-38/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.62	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				Bioorg Med Chem 16: 4272-85 (2008) BindingDB Entry DOI: 10.7270/Q2ZG6VKC
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM276949 (US10072001, Example 125 | US10259811, Example 125) Show SMILES COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N Show InChI InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-10-12-41-13-11-36)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-8-37(9-7-23)29(39)18-38/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10072001 (2018) BindingDB Entry DOI: 10.7270/Q27H1MMV
					More data for this Ligand-Target Pair