BDBM50464523 CHEMBL4277319

SMILES: CCN1CCN(CCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1

InChI Key: InChIKey=BGKYZDJEYJHECI-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 = 50464523   

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))	BDBM50464523 (CHEMBL4277319) Show SMILES CCN1CCN(CCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1 Show InChI InChI=1S/C29H36FN7O2/c1-4-27(38)32-22-8-6-9-23(19-22)33-28-25(30)20-31-29(35-28)34-26-11-10-24(18-21(26)3)39-17-7-12-37-15-13-36(5-2)14-16-37/h4,6,8-11,18-20H,1,5,7,12-17H2,2-3H3,(H,32,38)(H2,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50464523 (CHEMBL4277319) Show SMILES CCN1CCN(CCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1 Show InChI InChI=1S/C29H36FN7O2/c1-4-27(38)32-22-8-6-9-23(19-22)33-28-25(30)20-31-29(35-28)34-26-11-10-24(18-21(26)3)39-17-7-12-37-15-13-36(5-2)14-16-37/h4,6,8-11,18-20H,1,5,7,12-17H2,2-3H3,(H,32,38)(H2,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair