BDBM50520155 CHEMBL4552254::US10894784, Example 30.01.01

SMILES: Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1

InChI Key: InChIKey=BTIIUKSFWMYFNV-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50520155   

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))	BDBM50520155 (CHEMBL4552254 | US10894784, Example 30.01.01) Show SMILES Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with ...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520155 (CHEMBL4552254 | US10894784, Example 30.01.01) Show SMILES Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with ...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 6 (Homo sapiens (Human))	BDBM50520155 (CHEMBL4552254 | US10894784, Example 30.01.01) Show SMILES Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human His6-tagged RSK4 expressed in baculovirus infected sf21 cells using biotin labelled Ahx-KKLNRTLSFAEPG pep...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520155 (CHEMBL4552254 | US10894784, Example 30.01.01) Show SMILES Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)	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	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length N-terminally His-tagged human TBK1, expressed in insect cells and purified by Ni-NTA affinity chromatography, was purchased f...				US Patent US10894784 (2021)
					More data for this Ligand-Target Pair
IKK epsilon/TBK1 (Homo sapiens (Human))	BDBM50520155 (CHEMBL4552254 | US10894784, Example 30.01.01) Show SMILES Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	773	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50520155 (CHEMBL4552254 | US10894784, Example 30.01.01) Show SMILES Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human His-tagged CDK9/CyclinT1 expressed in baculovirus expression system using biotin-labelled Ttds-YISPLKSPYK...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50520155 (CHEMBL4552254 | US10894784, Example 30.01.01) Show SMILES Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues) expressed in sf21 cells using biotin labelled Ahx-GGEEEEYFELVKKKK pe...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50520155 (CHEMBL4552254 | US10894784, Example 30.01.01) Show SMILES Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal GST-tagged IKKepsilon expressed in baculovirus expression system using biotin-labelled Ahx-GDE...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair