BDBM50161355 CHEMBL3786745

SMILES: O=C(Nc1cccc(CN2CCCCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12

InChI Key: InChIKey=RHFROKHNKSXOLK-UHFFFAOYSA-N

Data: 2 IC50

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 = 50161355   

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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50161355 (CHEMBL3786745) Show SMILES O=C(Nc1cccc(CN2CCCCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C19H17BrN4O/c20-16-6-5-15(25-16)18-14-9-11-3-4-12(24-7-1-2-8-24)10-13(11)17(14)22-19(21)23-18/h3-6,10H,1-2,7-9H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of GST fused human recombinant DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by scintillation counting in...				Eur J Med Chem 115: 311-25 (2016) BindingDB Entry DOI: 10.7270/Q2JM2CHT
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50161355 (CHEMBL3786745) Show SMILES O=C(Nc1cccc(CN2CCCCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C19H17BrN4O/c20-16-6-5-15(25-16)18-14-9-11-3-4-12(24-7-1-2-8-24)10-13(11)17(14)22-19(21)23-18/h3-6,10H,1-2,7-9H2,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate				Eur J Med Chem 115: 311-25 (2016) BindingDB Entry DOI: 10.7270/Q2JM2CHT
					More data for this Ligand-Target Pair