BDBM50084444 CHEMBL3426857

SMILES: Oc1ccc(Nc2ncc(Br)c(NCC3CCCO3)n2)cc1F

InChI Key: InChIKey=PPQZOWQQGCUORP-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 = 50084444   

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
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM50084444 (CHEMBL3426857) Show SMILES Oc1ccc(Nc2ncc(Br)c(NCC3CCCO3)n2)cc1F Show InChI InChI=1S/C15H16BrFN4O2/c16-11-8-19-15(20-9-3-4-13(22)12(17)6-9)21-14(11)18-7-10-2-1-5-23-10/h3-4,6,8,10,22H,1-2,5,7H2,(H2,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	299	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay				J Med Chem 58: 2746-63 (2015) Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC
					More data for this Ligand-Target Pair