BDBM50161358 CHEMBL3787033

SMILES: Cc1cncc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1

InChI Key: InChIKey=USHCDIYIJWMLLK-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50161358   

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))	BDBM50161358 (CHEMBL3787033) Show SMILES Cc1cncc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1 Show InChI InChI=1S/C19H18BrN3O/c1-19(2,3)11-5-4-10-8-13-16(12(10)9-11)22-18(21)23-17(13)14-6-7-15(20)24-14/h4-7,9H,8H2,1-3H3,(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	810	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