BDBM50097138 CHEMBL3580970

SMILES: Cn1cnc2cc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)ccc12

InChI Key: InChIKey=AYJQYBUQWKNRMX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50097138   

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))	BDBM50097138 (CHEMBL3580970) Show SMILES Cn1cnc2cc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)ccc12 Show InChI InChI=1S/C19H20N8/c1-27-11-22-15-8-12(2-5-16(15)27)10-21-19-20-7-6-17(24-19)23-18-9-14(25-26-18)13-3-4-13/h2,5-9,11,13H,3-4,10H2,1H3,(H3,20,21,23,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	607	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
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50097138 (CHEMBL3580970) Show SMILES Cn1cnc2cc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)ccc12 Show InChI InChI=1S/C19H20N8/c1-27-11-22-15-8-12(2-5-16(15)27)10-21-19-20-7-6-17(24-19)23-18-9-14(25-26-18)13-3-4-13/h2,5-9,11,13H,3-4,10H2,1H3,(H3,20,21,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.66E+3	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 PAK4 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