BDBM50448774 CHEMBL3128056

SMILES: CC(C)(O)C#Cc1ccc2cnn(-c3cc(N)ncn3)c2c1

InChI Key: InChIKey=LMFXMUZJJRKRKF-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 = 50448774   

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))	BDBM50448774 (CHEMBL3128056) Show SMILES CC(C)(O)C#Cc1ccc2cnn(-c3cc(N)ncn3)c2c1 Show InChI InChI=1S/C16H15N5O/c1-16(2,22)6-5-11-3-4-12-9-20-21(13(12)7-11)15-8-14(17)18-10-19-15/h3-4,7-10,22H,1-2H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+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))	BDBM50448774 (CHEMBL3128056) Show SMILES CC(C)(O)C#Cc1ccc2cnn(-c3cc(N)ncn3)c2c1 Show InChI InChI=1S/C16H15N5O/c1-16(2,22)6-5-11-3-4-12-9-20-21(13(12)7-11)15-8-14(17)18-10-19-15/h3-4,7-10,22H,1-2H3,(H2,17,18,19)	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