BDBM207921 US9546153, ex. 45

SMILES: CC(C)Nc1cc(Nc2ccc3nonc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O

InChI Key: InChIKey=PFQUJAHKZJFXLR-QGZVFWFLSA-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 = 207921   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM207921 (US9546153, ex. 45) Show SMILES CC(C)Nc1cc(Nc2ccc3nonc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H25FN6O3/c1-11(2)24-15-8-18(25-12-5-6-14-16(7-12)27-30-26-14)22-9-13(15)19(28)23-10-17(21)20(3,4)29/h5-9,11,17,29H,10H2,1-4H3,(H,23,28)(H2,22,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM207921 (US9546153, ex. 45) Show SMILES CC(C)Nc1cc(Nc2ccc3nonc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H25FN6O3/c1-11(2)24-15-8-18(25-12-5-6-14-16(7-12)27-30-26-14)22-9-13(15)19(28)23-10-17(21)20(3,4)29/h5-9,11,17,29H,10H2,1-4H3,(H,23,28)(H2,22,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol Myers Squibb Research Center Curated by ChEMBL					Assay Description Inhibition of IRAK4 in human whole blood assessed as inhibition of LTA-induced IL-6 production preincubated for 30 mins followed by LTA-stimulation a...				ACS Med Chem Lett 11: 1402-1409 (2020)
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM207921 (US9546153, ex. 45) Show SMILES CC(C)Nc1cc(Nc2ccc3nonc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H25FN6O3/c1-11(2)24-15-8-18(25-12-5-6-14-16(7-12)27-30-26-14)22-9-13(15)19(28)23-10-17(21)20(3,4)29/h5-9,11,17,29H,10H2,1-4H3,(H,23,28)(H2,22,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol Myers Squibb Research Center Curated by ChEMBL					Assay Description Inhibition of IRAK4 in human PBMC assessed as inhibition of LTA-induced IL-6 production preincubated for 30 mins followed by LTA-stimulation and meas...				ACS Med Chem Lett 11: 1402-1409 (2020)
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM207921 (US9546153, ex. 45) Show SMILES CC(C)Nc1cc(Nc2ccc3nonc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H25FN6O3/c1-11(2)24-15-8-18(25-12-5-6-14-16(7-12)27-30-26-14)22-9-13(15)19(28)23-10-17(21)20(3,4)29/h5-9,11,17,29H,10H2,1-4H3,(H,23,28)(H2,22,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol Myers Squibb Research Center Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) using FL-IPTSPITTTYFFFKKK peptide and ATP as substrate incubated for 60 mins by fluorescence based caliper assay				ACS Med Chem Lett 11: 1402-1409 (2020)
					More data for this Ligand-Target Pair