BDBM50388184 CHEMBL2057916

SMILES: CCNC(=O)Nc1cc(cn(C)c1=O)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C

InChI Key: InChIKey=YSFNVPVJHNAQNW-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 = 50388184   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388184 (CHEMBL2057916) Show SMILES CCNC(=O)Nc1cc(cn(C)c1=O)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C27H32N4O3/c1-7-28-26(34)30-23-15-19(16-31(6)25(23)33)21-9-8-10-22(17(21)2)29-24(32)18-11-13-20(14-12-18)27(3,4)5/h8-16H,7H2,1-6H3,(H,29,32)(H2,28,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human BTK by enzymatic assay				J Med Chem 55: 4539-50 (2012) Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF
					More data for this Ligand-Target Pair				3D Structure (docked)