BDBM50161339 CHEMBL3787512

SMILES: OCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1

InChI Key: InChIKey=HTVBGLRSVNFFBF-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 = 50161339   

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
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50161339 (CHEMBL3787512) Show SMILES OCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1 Show InChI InChI=1S/C15H9BrClN3O/c16-12-4-3-11(21-12)14-10-5-7-1-2-8(17)6-9(7)13(10)19-15(18)20-14/h1-4,6H,5H2,(H2,18,19,20)	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	41	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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50161339 (CHEMBL3787512) Show SMILES OCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1 Show InChI InChI=1S/C15H9BrClN3O/c16-12-4-3-11(21-12)14-10-5-7-1-2-8(17)6-9(7)13(10)19-15(18)20-14/h1-4,6H,5H2,(H2,18,19,20)	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	4.60E+3	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