BDBM50084465 CHEMBL3426892

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@@H]3CCCO3)n2)cc1

InChI Key: InChIKey=MMJSYUQCKWEFRW-KRWDZBQOSA-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 = 50084465   

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 kinase non-receptor protein 2 (Homo sapiens (Human))	BDBM50084465 (CHEMBL3426892) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@@H]3CCCO3)n2)cc1 |r| Show InChI InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Inhibition of ACK1 kinase (unknown origin)				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