BDBM50095467 CHEMBL3590472

SMILES: Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O

InChI Key: InChIKey=SSMUXZNGWKTWKM-RYUDHWBXSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50095467   

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))	BDBM50095467 (CHEMBL3590472) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r| Show InChI InChI=1S/C18H23N9O2/c1-26-9-13(15(25-26)16(20)28)23-18(29)10-8-21-27-7-6-14(24-17(10)27)22-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H2,20,28)(H,22,24)(H,23,29)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader				ACS Med Chem Lett 6: 683-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00107 BindingDB Entry DOI: 10.7270/Q2QF8VNH
					More data for this Ligand-Target Pair