BDBM50182292 CHEMBL3818273

SMILES: CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCOC)c2n1

InChI Key: InChIKey=UMEIGUHCOYWUSH-UHFFFAOYSA-N

Data: 1 KI

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 = 50182292   

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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50182292 (CHEMBL3818273) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCOC)c2n1 Show InChI InChI=1S/C23H22ClN5O3/c1-14-5-4-8-28(21(14)30)16-6-7-17(19(24)12-16)18-11-15-13-26-23(25-2)27-20(15)29(22(18)31)9-10-32-3/h4-8,11-13H,9-10H2,1-3H3,(H,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair