BDBM50084458 CHEMBL3426874

SMILES: Clc1cnc(Nc2ccc(cc2)C2CCNCC2)nc1NCC1CCCO1

InChI Key: InChIKey=HWTAGTMFLXLMPR-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 = 50084458   

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))	BDBM50084458 (CHEMBL3426874) Show SMILES Clc1cnc(Nc2ccc(cc2)C2CCNCC2)nc1NCC1CCCO1 Show InChI InChI=1S/C20H26ClN5O/c21-18-13-24-20(26-19(18)23-12-17-2-1-11-27-17)25-16-5-3-14(4-6-16)15-7-9-22-10-8-15/h3-6,13,15,17,22H,1-2,7-12H2,(H2,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	231	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