BDBM50084452 CHEMBL3426868

SMILES: Clc1cnc(Nc2ccc(cc2)N2CCNCC2)nc1NCC1CCCO1

InChI Key: InChIKey=QEIBQCGEIITGSB-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 = 50084452   

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))	BDBM50084452 (CHEMBL3426868) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCNCC2)nc1NCC1CCCO1 Show InChI InChI=1S/C19H25ClN6O/c20-17-13-23-19(25-18(17)22-12-16-2-1-11-27-16)24-14-3-5-15(6-4-14)26-9-7-21-8-10-26/h3-6,13,16,21H,1-2,7-12H2,(H2,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	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