BDBM50242697 CHEMBL4070214::US9932350, 2-7

SMILES: N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1

InChI Key: InChIKey=HVQXFGHHSFTACS-WKILWMFISA-N

Data: 4 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50242697   

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 (Rattus norvegicus)	BDBM50242697 (CHEMBL4070214 | US9932350, 2-7) Show SMILES N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(43.91,-7.07,;45.25,-7.84,;46.58,-8.61,;46.58,-10.16,;47.91,-10.93,;49.24,-10.15,;50.58,-10.92,;51.91,-10.14,;51.9,-8.59,;50.57,-7.83,;50.56,-6.29,;51.89,-5.52,;51.87,-3.99,;53.21,-3.21,;54.55,-3.98,;54.55,-5.52,;53.22,-6.29,;55.88,-3.21,;57.21,-3.98,;58.54,-3.21,;58.54,-1.67,;57.21,-.9,;55.87,-1.67,;49.24,-8.61,;47.91,-7.84,)| Show InChI InChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)/t15-,16-	PDB GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]DTG to sigma binding site in Guinea pig brain membranes				Bioorg Med Chem Lett 27: 2721-2726 (2017) Article DOI: 10.1016/j.bmcl.2017.04.050 BindingDB Entry DOI: 10.7270/Q2RR21NQ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50242697 (CHEMBL4070214 | US9932350, 2-7) Show SMILES N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(43.91,-7.07,;45.25,-7.84,;46.58,-8.61,;46.58,-10.16,;47.91,-10.93,;49.24,-10.15,;50.58,-10.92,;51.91,-10.14,;51.9,-8.59,;50.57,-7.83,;50.56,-6.29,;51.89,-5.52,;51.87,-3.99,;53.21,-3.21,;54.55,-3.98,;54.55,-5.52,;53.22,-6.29,;55.88,-3.21,;57.21,-3.98,;58.54,-3.21,;58.54,-1.67,;57.21,-.9,;55.87,-1.67,;49.24,-8.61,;47.91,-7.84,)| Show InChI InChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)/t15-,16-	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m...				Bioorg Med Chem Lett 27: 2721-2726 (2017) Article DOI: 10.1016/j.bmcl.2017.04.050 BindingDB Entry DOI: 10.7270/Q2RR21NQ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50242697 (CHEMBL4070214 | US9932350, 2-7) Show SMILES N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(43.91,-7.07,;45.25,-7.84,;46.58,-8.61,;46.58,-10.16,;47.91,-10.93,;49.24,-10.15,;50.58,-10.92,;51.91,-10.14,;51.9,-8.59,;50.57,-7.83,;50.56,-6.29,;51.89,-5.52,;51.87,-3.99,;53.21,-3.21,;54.55,-3.98,;54.55,-5.52,;53.22,-6.29,;55.88,-3.21,;57.21,-3.98,;58.54,-3.21,;58.54,-1.67,;57.21,-.9,;55.87,-1.67,;49.24,-8.61,;47.91,-7.84,)| Show InChI InChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)/t15-,16-	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) by cell based assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50242697 (CHEMBL4070214 | US9932350, 2-7) Show SMILES N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(43.91,-7.07,;45.25,-7.84,;46.58,-8.61,;46.58,-10.16,;47.91,-10.93,;49.24,-10.15,;50.58,-10.92,;51.91,-10.14,;51.9,-8.59,;50.57,-7.83,;50.56,-6.29,;51.89,-5.52,;51.87,-3.99,;53.21,-3.21,;54.55,-3.98,;54.55,-5.52,;53.22,-6.29,;55.88,-3.21,;57.21,-3.98,;58.54,-3.21,;58.54,-1.67,;57.21,-.9,;55.87,-1.67,;49.24,-8.61,;47.91,-7.84,)| Show InChI InChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)/t15-,16-	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50242697 (CHEMBL4070214 | US9932350, 2-7) Show SMILES N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(43.91,-7.07,;45.25,-7.84,;46.58,-8.61,;46.58,-10.16,;47.91,-10.93,;49.24,-10.15,;50.58,-10.92,;51.91,-10.14,;51.9,-8.59,;50.57,-7.83,;50.56,-6.29,;51.89,-5.52,;51.87,-3.99,;53.21,-3.21,;54.55,-3.98,;54.55,-5.52,;53.22,-6.29,;55.88,-3.21,;57.21,-3.98,;58.54,-3.21,;58.54,-1.67,;57.21,-.9,;55.87,-1.67,;49.24,-8.61,;47.91,-7.84,)| Show InChI InChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)/t15-,16-	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 16: 9113-20 (2008) BindingDB Entry DOI: 10.7270/Q2NS0X7R
					More data for this Ligand-Target Pair