BDBM50511348 CHEMBL4566431

SMILES: CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1COC1

InChI Key: InChIKey=QMZAEVYJOJYABY-HSZRJFAPSA-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 = 50511348   

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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50511348 (CHEMBL4566431 | US11034698, Example 105) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C27H32FN7O4/c1-27(2,38)23(28)14-34-13-17-10-21(31-25(36)20-12-30-35-5-3-4-29-24(20)35)22(11-19(17)26(34)37)33-8-6-32(7-9-33)18-15-39-16-18/h3-5,10-12,18,23,38H,6-9,13-16H2,1-2H3,(H,31,36)/t23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		3.40	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))	BDBM50511348 (CHEMBL4566431 | US11034698, Example 105) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C27H32FN7O4/c1-27(2,38)23(28)14-34-13-17-10-21(31-25(36)20-12-30-35-5-3-4-29-24(20)35)22(11-19(17)26(34)37)33-8-6-32(7-9-33)18-15-39-16-18/h3-5,10-12,18,23,38H,6-9,13-16H2,1-2H3,(H,31,36)/t23-/m1/s1	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50511348 (CHEMBL4566431 | US11034698, Example 105) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C27H32FN7O4/c1-27(2,38)23(28)14-34-13-17-10-21(31-25(36)20-12-30-35-5-3-4-29-24(20)35)22(11-19(17)26(34)37)33-8-6-32(7-9-33)18-15-39-16-18/h3-5,10-12,18,23,38H,6-9,13-16H2,1-2H3,(H,31,36)/t23-/m1/s1	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	0.0780	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