BDBM50084457 CHEMBL3426873

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1

InChI Key: InChIKey=OJJAREPKJLMJJP-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 = 50084457   

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))	BDBM50084457 (CHEMBL3426873) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1 Show InChI InChI=1S/C27H31ClFN7O2/c1-35-11-13-36(14-12-35)19-9-7-18(8-10-19)32-27-31-17-21(25(34-27)30-16-20-4-3-15-38-20)26(37)33-24-22(28)5-2-6-23(24)29/h2,5-10,17,20H,3-4,11-16H2,1H3,(H,33,37)(H2,30,31,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	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