null

SMILES: COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(Br)c2cc1C(N)=O

InChI Key: InChIKey=IPUGCJLTEYLCFC-QMMMGPOBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50515374   

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 1 (Homo sapiens (Human))	BDBM50515374 (CHEMBL4536517) Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(Br)c2cc1C(N)=O |r| Show InChI InChI=1S/C16H16BrN3O4/c1-23-13-5-10-9(4-11(13)15(18)22)12(17)6-19-16(10)24-7-8-2-3-14(21)20-8/h4-6,8H,2-3,7H2,1H3,(H2,18,22)(H,20,21)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity to human IRK1 using myelin basic protein as substrate by [gamma-33P]-ATP assay				ACS Med Chem Lett 10: 1081-1085 (2019) Article DOI: 10.1021/acsmedchemlett.9b00219
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50515374 (CHEMBL4536517) Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(Br)c2cc1C(N)=O |r| Show InChI InChI=1S/C16H16BrN3O4/c1-23-13-5-10-9(4-11(13)15(18)22)12(17)6-19-16(10)24-7-8-2-3-14(21)20-8/h4-6,8H,2-3,7H2,1H3,(H2,18,22)(H,20,21)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay				ACS Med Chem Lett 10: 1081-1085 (2019) Article DOI: 10.1021/acsmedchemlett.9b00219
					More data for this Ligand-Target Pair