BDBM276899 US10072001, Example 85::US10259811, Example 85

SMILES: N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1

InChI Key: InChIKey=SJJKBERVVQPRLP-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 = 276899   

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))	BDBM276899 (US10072001, Example 85 | US10259811, Example 85) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C32H33N5O3/c33-19-24-17-23(3-6-31(24)40-27-8-15-38-16-9-27)28-7-10-34-32-29(28)18-30(35-32)22-1-4-25(5-2-22)36-11-13-37(14-12-36)26-20-39-21-26/h1-7,10,17-18,26-27H,8-9,11-16,20-21H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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))	BDBM276899 (US10072001, Example 85 | US10259811, Example 85) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C32H33N5O3/c33-19-24-17-23(3-6-31(24)40-27-8-15-38-16-9-27)28-7-10-34-32-29(28)18-30(35-32)22-1-4-25(5-2-22)36-11-13-37(14-12-36)26-20-39-21-26/h1-7,10,17-18,26-27H,8-9,11-16,20-21H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.31	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))	BDBM276899 (US10072001, Example 85 | US10259811, Example 85) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C32H33N5O3/c33-19-24-17-23(3-6-31(24)40-27-8-15-38-16-9-27)28-7-10-34-32-29(28)18-30(35-32)22-1-4-25(5-2-22)36-11-13-37(14-12-36)26-20-39-21-26/h1-7,10,17-18,26-27H,8-9,11-16,20-21H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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))	BDBM276899 (US10072001, Example 85 | US10259811, Example 85) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C32H33N5O3/c33-19-24-17-23(3-6-31(24)40-27-8-15-38-16-9-27)28-7-10-34-32-29(28)18-30(35-32)22-1-4-25(5-2-22)36-11-13-37(14-12-36)26-20-39-21-26/h1-7,10,17-18,26-27H,8-9,11-16,20-21H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.31	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