BDBM50448781 CHEMBL3128049

SMILES: Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCOC1

InChI Key: InChIKey=FOCCTOACHHXXEU-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 = 50448781   

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
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50448781 (CHEMBL3128049) Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCOC1 Show InChI InChI=1S/C18H18N6O2/c1-12-22-14-4-3-13(5-7-18(25)6-2-8-26-10-18)9-15(14)24(12)17-21-11-20-16(19)23-17/h3-4,9,11,25H,2,6,8,10H2,1H3,(H2,19,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubat...				J Med Chem 57: 1033-45 (2014) Article DOI: 10.1021/jm401768t BindingDB Entry DOI: 10.7270/Q2F47QNW
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50448781 (CHEMBL3128049) Show SMILES Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCOC1 Show InChI InChI=1S/C18H18N6O2/c1-12-22-14-4-3-13(5-7-18(25)6-2-8-26-10-18)9-15(14)24(12)17-21-11-20-16(19)23-17/h3-4,9,11,25H,2,6,8,10H2,1H3,(H2,19,20,21,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate pr...				J Med Chem 57: 1033-45 (2014) Article DOI: 10.1021/jm401768t BindingDB Entry DOI: 10.7270/Q2F47QNW
					More data for this Ligand-Target Pair