BDBM50097147 CHEMBL3580959

SMILES: NC1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CC2)ccn1

InChI Key: InChIKey=UTYDGMDBIPWGOG-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 = 50097147   

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))	BDBM50097147 (CHEMBL3580959) Show SMILES NC1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CC2)ccn1 Show InChI InChI=1S/C16H22N6/c17-12-4-7-22(8-5-12)16-9-13(3-6-18-16)19-15-10-14(20-21-15)11-1-2-11/h3,6,9-12H,1-2,4-5,7-8,17H2,(H2,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82E+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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50097147 (CHEMBL3580959) Show SMILES NC1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CC2)ccn1 Show InChI InChI=1S/C16H22N6/c17-12-4-7-22(8-5-12)16-9-13(3-6-18-16)19-15-10-14(20-21-15)11-1-2-11/h3,6,9-12H,1-2,4-5,7-8,17H2,(H2,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.39E+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 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