BDBM50097124 CHEMBL3580951

SMILES: CCc1cc(Nc2nc(nc3ccsc23)N2CCC(N)CC2)n[nH]1

InChI Key: InChIKey=JCYDKLPWPCRSFA-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 = 50097124   

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))	BDBM50097124 (CHEMBL3580951) Show SMILES CCc1cc(Nc2nc(nc3ccsc23)N2CCC(N)CC2)n[nH]1 Show InChI InChI=1S/C16H21N7S/c1-2-11-9-13(22-21-11)19-15-14-12(5-8-24-14)18-16(20-15)23-6-3-10(17)4-7-23/h5,8-10H,2-4,6-7,17H2,1H3,(H2,18,19,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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 PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...				J Med Chem 58: 5121-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00572 BindingDB Entry DOI: 10.7270/Q2DV1MN9
					More data for this Ligand-Target Pair