null

SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)N1CCN(CC1)c1ccc(F)cc1F

InChI Key: InChIKey=VVZIOBZBARTMJV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 203290   

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))	BDBM203290 (US10227340, Example 31 | US9242975, 31) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)N1CCN(CC1)c1ccc(F)cc1F Show InChI InChI=1S/C29H27F2N7OS2/c1-17(2)34-23-13-27(35-19-4-5-22-26(12-19)41-16-33-22)32-14-20(23)28-36-24(15-40-28)29(39)38-9-7-37(8-10-38)25-6-3-18(30)11-21(25)31/h3-6,11-17H,7-10H2,1-2H3,(H2,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	764	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience					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...				J Med Chem 51: 1719-29 (2008) BindingDB Entry DOI: 10.7270/Q29C70Q8
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM203290 (US10227340, Example 31 | US9242975, 31) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)N1CCN(CC1)c1ccc(F)cc1F Show InChI InChI=1S/C29H27F2N7OS2/c1-17(2)34-23-13-27(35-19-4-5-22-26(12-19)41-16-33-22)32-14-20(23)28-36-24(15-40-28)29(39)38-9-7-37(8-10-38)25-6-3-18(30)11-21(25)31/h3-6,11-17H,7-10H2,1-2H3,(H2,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	764	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 substrates...				US Patent US9242975 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XVD
					More data for this Ligand-Target Pair