BDBM50511357 CHEMBL4452765

SMILES: O=C(Nc1cc2CN(CC3CCOCC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12

InChI Key: InChIKey=MGMKNRIQBNDXSU-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 3 hits for monomerid = 50511357   

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))	BDBM50511357 (CHEMBL4452765 | US11034698, Example 92) Show SMILES O=C(Nc1cc2CN(CC3CCOCC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12 Show InChI InChI=1S/C25H28N6O4/c32-24(20-14-27-31-5-1-4-26-23(20)31)28-21-12-18-16-30(15-17-2-8-34-9-3-17)25(33)19(18)13-22(21)29-6-10-35-11-7-29/h1,4-5,12-14,17H,2-3,6-11,15-16H2,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...				ACS Med Chem Lett 11: 327-333 (2020) Article DOI: 10.1021/acsmedchemlett.9b00380
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50511357 (CHEMBL4452765 | US11034698, Example 92) Show SMILES O=C(Nc1cc2CN(CC3CCOCC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12 Show InChI InChI=1S/C25H28N6O4/c32-24(20-14-27-31-5-1-4-26-23(20)31)28-21-12-18-16-30(15-17-2-8-34-9-3-17)25(33)19(18)13-22(21)29-6-10-35-11-7-29/h1,4-5,12-14,17H,2-3,6-11,15-16H2,(H,28,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50511357 (CHEMBL4452765 | US11034698, Example 92) Show SMILES O=C(Nc1cc2CN(CC3CCOCC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12 Show InChI InChI=1S/C25H28N6O4/c32-24(20-14-27-31-5-1-4-26-23(20)31)28-21-12-18-16-30(15-17-2-8-34-9-3-17)25(33)19(18)13-22(21)29-6-10-35-11-7-29/h1,4-5,12-14,17H,2-3,6-11,15-16H2,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of IRAK4 in human whole blood assessed as inhibition of R848-induced IL-6 production preincubated for 90 mins followed by R848 stimulation...				ACS Med Chem Lett 11: 327-333 (2020) Article DOI: 10.1021/acsmedchemlett.9b00380
					More data for this Ligand-Target Pair