BDBM50020450 CHEMBL3290126

SMILES: CCC(=O)N(C(=O)CC)c1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1

InChI Key: InChIKey=UQEZQAFDAVFONW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50020450   

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 Lck (Homo sapiens (Human))	BDBM50020450 (CHEMBL3290126) Show SMILES CCC(=O)N(C(=O)CC)c1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1 Show InChI InChI=1S/C32H29F3N6O4/c1-4-27(42)41(28(43)5-2)25-11-7-10-22(15-25)40-31-36-17-24(18-37-31)39-30(45)26-16-23(13-12-19(26)3)38-29(44)20-8-6-9-21(14-20)32(33,34)35/h6-18H,4-5H2,1-3H3,(H,38,44)(H,39,45)(H,36,37,40)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of Lck (unknown origin) after 1 hr by HTRF assay				J Med Chem 57: 5112-28 (2014) Article DOI: 10.1021/jm4017762 BindingDB Entry DOI: 10.7270/Q2NK3GKX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50020450 (CHEMBL3290126) Show SMILES CCC(=O)N(C(=O)CC)c1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1 Show InChI InChI=1S/C32H29F3N6O4/c1-4-27(42)41(28(43)5-2)25-11-7-10-22(15-25)40-31-36-17-24(18-37-31)39-30(45)26-16-23(13-12-19(26)3)38-29(44)20-8-6-9-21(14-20)32(33,34)35/h6-18H,4-5H2,1-3H3,(H,38,44)(H,39,45)(H,36,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of Btk (unknown origin) after 1 hr by HTRF assay				J Med Chem 57: 5112-28 (2014) Article DOI: 10.1021/jm4017762 BindingDB Entry DOI: 10.7270/Q2NK3GKX
					More data for this Ligand-Target Pair