BDBM50123458 CHEMBL3621457

SMILES: CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4ccccc4F)c3c2c1)C(N)=O

InChI Key: InChIKey=GBFQYGFQZOPXOV-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 = 50123458   

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))	BDBM50123458 (CHEMBL3621457) Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4ccccc4F)c3c2c1)C(N)=O Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-9-21-19(14-15)22-17(16-4-2-3-5-20(16)26)7-8-18(24(27)31)23(22)28-21/h2-9,14,28H,10-13H2,1H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair