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SMILES: COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)N1CC[C@@H](O)C1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50599227   

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))	BDBM50599227 (CHEMBL5204583 | US11866405, Example 117) Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)N1CC[C@@H](O)C1 |r,wU:26.33,36.41,wD:23.26,(5.72,-3.23,;5.72,-1.69,;4.39,-.92,;3.07,-1.69,;1.74,-.93,;.27,-1.41,;-.63,-.16,;.27,1.09,;1.74,.61,;3.07,1.38,;4.39,.61,;5.72,1.38,;5.72,2.92,;7.06,.61,;8.39,1.38,;8.55,2.91,;10.06,3.23,;10.83,1.9,;12.34,1.58,;12.81,.12,;11.78,-1.03,;10.28,-.71,;9.8,.76,;-2.18,-.16,;-2.95,1.18,;-4.49,1.18,;-5.26,-.16,;-4.49,-1.49,;-2.95,-1.49,;-6.8,-.16,;-7.57,1.18,;-7.57,-1.49,;-6.8,-2.83,;-9.11,-1.49,;-10.01,-2.74,;-11.48,-2.26,;-11.48,-.72,;-12.81,.05,;-10.01,-.25,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00324 BindingDB Entry DOI: 10.7270/Q2W381C3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50599227 (CHEMBL5204583 | US11866405, Example 117) Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)N1CC[C@@H](O)C1 |r,wU:26.33,36.41,wD:23.26,(5.72,-3.23,;5.72,-1.69,;4.39,-.92,;3.07,-1.69,;1.74,-.93,;.27,-1.41,;-.63,-.16,;.27,1.09,;1.74,.61,;3.07,1.38,;4.39,.61,;5.72,1.38,;5.72,2.92,;7.06,.61,;8.39,1.38,;8.55,2.91,;10.06,3.23,;10.83,1.9,;12.34,1.58,;12.81,.12,;11.78,-1.03,;10.28,-.71,;9.8,.76,;-2.18,-.16,;-2.95,1.18,;-4.49,1.18,;-5.26,-.16,;-4.49,-1.49,;-2.95,-1.49,;-6.8,-.16,;-7.57,1.18,;-7.57,-1.49,;-6.8,-2.83,;-9.11,-1.49,;-10.01,-2.74,;-11.48,-2.26,;-11.48,-.72,;-12.81,.05,;-10.01,-.25,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair