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SMILES: Cc1nnc(s1)-c1cnc(nc1N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1

InChI Key: InChIKey=UTIGOFYWZOYJCR-MXVIHJGJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 348046   

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))	BDBM348046 (US9790221, Compound 254) Show SMILES Cc1nnc(s1)-c1cnc(nc1N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,wD:16.21,(-6.37,-8.15,;-5.6,-6.81,;-4.06,-6.81,;-3.58,-5.35,;-4.83,-4.44,;-6.07,-5.35,;-4.83,-2.9,;-6.16,-2.13,;-6.16,-.59,;-4.83,.18,;-3.49,-.59,;-3.49,-2.13,;-2.16,-2.9,;-.67,-2.5,;-.27,-1.02,;1.21,-.62,;2.3,-1.71,;1.9,-3.19,;.42,-3.59,;3.79,-1.31,;4.88,-2.4,;5.97,-3.49,;6.37,-2,;4.48,-3.89,;-4.83,1.72,;-6.16,2.49,;-6.16,4.03,;-4.83,4.8,;-3.49,4.03,;-3.49,2.49,;-2.16,4.8,;-.69,4.32,;.21,5.57,;-.69,6.81,;.08,8.15,;-2.16,6.34,)| Show InChI InChI=1S/C24H28N8O2S2/c1-15-29-30-24(35-15)21-13-25-22(17-6-4-5-16(11-17)18-12-26-32(2)14-18)28-23(21)27-19-7-9-20(10-8-19)31-36(3,33)34/h4-6,11-14,19-20,31H,7-10H2,1-3H3,(H,25,27,28)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM348046 (US9790221, Compound 254) Show SMILES Cc1nnc(s1)-c1cnc(nc1N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,wD:16.21,(-6.37,-8.15,;-5.6,-6.81,;-4.06,-6.81,;-3.58,-5.35,;-4.83,-4.44,;-6.07,-5.35,;-4.83,-2.9,;-6.16,-2.13,;-6.16,-.59,;-4.83,.18,;-3.49,-.59,;-3.49,-2.13,;-2.16,-2.9,;-.67,-2.5,;-.27,-1.02,;1.21,-.62,;2.3,-1.71,;1.9,-3.19,;.42,-3.59,;3.79,-1.31,;4.88,-2.4,;5.97,-3.49,;6.37,-2,;4.48,-3.89,;-4.83,1.72,;-6.16,2.49,;-6.16,4.03,;-4.83,4.8,;-3.49,4.03,;-3.49,2.49,;-2.16,4.8,;-.69,4.32,;.21,5.57,;-.69,6.81,;.08,8.15,;-2.16,6.34,)| Show InChI InChI=1S/C24H28N8O2S2/c1-15-29-30-24(35-15)21-13-25-22(17-6-4-5-16(11-17)18-12-26-32(2)14-18)28-23(21)27-19-7-9-20(10-8-19)31-36(3,33)34/h4-6,11-14,19-20,31H,7-10H2,1-3H3,(H,25,27,28)/t19-,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair