BDBM25008 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol::GSK screening, 27::oxadiazole-containing compound, 3b

SMILES: CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N

InChI Key: InChIKey=NTPAYIOIMIUCMN-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 = 25008   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25008 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...) Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM25008 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...) Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	718	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM25008 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...) Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM25008 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...) Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair