BDBM50097126 CHEMBL3580950

SMILES: Cc1cc(Nc2nc(nc3ccsc23)N2CCC(N)CC2)n[nH]1

InChI Key: InChIKey=QDORBFXTDCJSLZ-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50097126   

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))	BDBM50097126 (CHEMBL3580950) Show SMILES Cc1cc(Nc2nc(nc3ccsc23)N2CCC(N)CC2)n[nH]1 Show InChI InChI=1S/C15H19N7S/c1-9-8-12(21-20-9)18-14-13-11(4-7-23-13)17-15(19-14)22-5-2-10(16)3-6-22/h4,7-8,10H,2-3,5-6,16H2,1H3,(H2,17,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	179	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