BDBM50236073 CHEMBL4090174

SMILES: CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2cc(C)ccc2F)ccc1C

InChI Key: InChIKey=NREDNKATDOVOQF-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50236073   

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
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50236073 (CHEMBL4090174) Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2cc(C)ccc2F)ccc1C Show InChI InChI=1S/C32H30FN7O3/c1-6-28(41)37-26-14-22(10-8-19(26)3)36-31-34-16-21-17-40(32(43)39(5)29(21)38-31)27-15-23(11-9-20(27)4)35-30(42)24-13-18(2)7-12-25(24)33/h6-16H,1,17H2,2-5H3,(H,35,42)(H,37,41)(H,34,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged BMX expressed in baculovirus expression system using Poly(4:1 Glu, Tyr) as substrate after 1 h...				J Med Chem 60: 1793-1816 (2017) Article DOI: 10.1021/acs.jmedchem.6b01413 BindingDB Entry DOI: 10.7270/Q2GH9M74
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